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Öğe A novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl)benzamide: Molecular structural describe, antioxidant activity with use X-ray diffractions and DFT calculations(Elsevier, 2015) Demir, Sibel; Cakmak, Sukriye; Dege, Necmi; Kutuk, Halil; Odabasoglu, Mustafa; Kepekci, R. AysunIn this work, the structure of a novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide, was analyzed both experimentally and theoretically using three methods, X-ray single crystal diffraction technique, IR spectroscopy, and quantum chemical computation. The X-ray diffraction analysis indicates that 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide molecula crystallizes in a triclinic system (space group P-1) and the calculated lattice constants are, a = 5.1205 +/- 0.0004 angstrom, b = 9.8598 +/- 0.0008 A, c = 15.3398 +/- 0.0013 angstrom, alpha = 80.79(7), beta = 83.142(6)degrees, gamma = 85.411(6)degrees, and Z = 2. In addition, the molecular geometry and vibrational frequencies of the title compound in ground state have been calculated using density functional theory (DFT) at B3LYP level 6-31G+(d,p) basis set. The geometrical parameters of the title compound obtained from XRD studies are good in agreement with the calculated values. The electronic properties, such as HOMO and LUMO energies and thermodynamic properties were calculated with DFT (using B3LYP/6-31G+(d,p) basis set) approach. To estimate the chemical reactivity of the molecule, the molecular electrostatic potential (MEP) surface map of the title molecule and PES scan were investigated with theoretical calculations at the B3LYP/6-31+G(d,p) and B3LYP/3-21G levels, respectively. Antioxidant properties are determined using DPPH free radical scavenging test. (C) 2015 Elsevier B.V. All rights reserved.Öğe Crystal structure of 2,3-dimethoxy-N-(4-nitrophenyl)benzamide(Int Union Crystallography, 2018) Yaman, Mavise; Almarhoon, Zainab M.; Cakmak, Sukriye; Kutuk, Halil; Meral, Gungor; Dege, NecmiIn the title compound, C15H14N2O5, the benzene rings are nearly coplanar, making a dihedral angle of 4.89 (8)degrees. An intramolecular N-H center dot center dot center dot O hydrogen bond occurs between the imino and methoxy groups. In the crystal, weak C-H center dot center dot center dot O hydrogen bonds link the molecules into supramolecular chains propagating along the a-axis direction. pi-pi stacking is observed between parallel benzene rings of neighbouring chains, the centroid-to-centroid distance being 3.6491 (10) angstrom. Three-dimensional Hirshfeld surface analyses and two-dimensional fingerprint plots have been used to analyse the intermolecular interactions present in the crystal.Öğe Crystal Structure of 3-Acetoxy-2-methyl-N-(4-nitrophenyl)benzamide(Japan Soc Analytical Chemistry, 2018) Kansiz, Sevgi; Cakmak, Sukriye; Dege, Necmi; Meral, Gungor; Kutuk, HalilThe structure of 3-acetoxy-2-methyl-N-(4-nitrophenyl)benzamide was determined by X-ray crystallography. The compound crystallized in a monoclinic system and it was characterized in the space group P2(1)/c with cell parameters a = 5.8658(3), b = 17.1661(10), c = 15.1938(7) angstrom, beta = 103.182(4)degrees, Z = 4, V = 1489.60(14) angstrom(3). The R1 [I > 2 sigma(I)] and wR2 (all data) values are 0.046 and 0.093, respectively, for all 2932 independent reflections. Intramolecular C3-H3 center dot center dot center dot O3 and intermolecular N2-H2 center dot center dot center dot O1, C5-H5 center dot center dot center dot O1 interactions were observed in the crystal lattice.Öğe Design, synthesis and spectroscopic and structural characterization of novel N-(2-hydroxy-5-methyl-phenyl)-2,3-dimethoxybenzamide: DFT, Hirshfeld surface analysis, antimicrobial activity, molecular docking and toxicology(Int Union Crystallography, 2022) Cakmak, Sukriye; Aycan, Tugba; Ozturk, Filiz; Veyisoglu, AyselThe novel compound N-(2-hydroxy-5-methylphenyl)-2,3-dimethoxybenzamide, C16H17NO4, I, was prepared by a two-step reaction and then characterized by elemental analysis and X-ray diffraction (XRD) methods. Moreover, its spectroscopic properties were investigated by FT-IR and H-1 and C-13 NMR. Compound I crystallized in the monoclinic space group P2(1)/c and the molecular geometry is not planar, being divided into three planar regions. Supramolecular structures are formed by connecting units via hydrogen bonds. The ground-state molecular structure of I was optimized by the DFT-B3LYP/6-31G(d,p) method and the theoretical structure was compared with that obtained by X-ray diffraction. Intermolecular interactions in the crystal network were studied by two-dimensional (2D) and three-dimensional (3D) Hirshfeld analyses. The calculated electronic transition results were examined and the molecular electrostatic potentials (MEPs) were also determined. The in vitro antimicrobial activities of I against three Gram-positive bacteria, three Gram-negative bacteria and two fungi were determined. The compound was compared with several control drugs and showed better activity than the amoxicillin standard against Gram-positive bacteria B. subtilis, S. aureus and E. faecalis, and Gramnegative bacteria E. coli, K. pneumoniae and P. aeruginosa. The density functional theory (DFT)-optimized structure of the small molecule was used to perform molecular docking studies with proteins from experimentally studied bacterial and fungal organisms using AutoDock to determine the most preferred binding mode of the ligand within the protein cavity. A druglikeness assay and ADME (absorption, distribution, metabolism and excretion) and toxicology studies were carried out and predict a good drug-like character.Öğe Experimental and theoretical investigations on a furan-2-carboxamide-bearing thiazole: synthesis, molecular characterization by IR/NMR/XRD, electronic characterization by DFT, Hirshfeld surface analysis and biological activity(Int Union Crystallography, 2022) Cakmak, Sukriye; Kirca, Basak Kosar; Veyisoglu, Aysel; Yakan, Hasan; Ersanli, Cem Cuneyt; Kutuk, HalilA thiazole-based heterocyclic amide, namely, N-(thiazol-2-yl)furan-2-carbox-amide, C8H6N2O2S, was synthesized and investigated for its antimicrobial activity. The structure was characterized by elemental analysis and IR, H-1 NMR, and C-13 NMR spectroscopy. The molecular and electronic structures were investigated experimentally by single-crystal X-ray diffraction (XRD) and theoretically by density functional theory (DFT) modelling. The compound crystallized in the monoclinic space group P2(1)/n and the asymmetric unit contains two symmetrically independent molecules. Several noncovalent interactions were recorded by XRD and analysed with Hirshfeld surface analysis (HSA) calculations. Natural bond orbital, molecular electrostatic potential, second-order nonlinear optical and thermodynamic property analyses were also carried out using the DFT/B3LYP method. The title compound was evaluated for antimicrobial activity against eight microorganisms consisting of Gram-negative bacteria, Gram-positive bacteria and fungi. The compound showed good antimicrobial activity against the eight tested microorganisms. This suggests that the compound merits further study for potential pharmacological and medical applications.Öğe Heterocyclic amides derived from 2-thiopheneacetic acid: Synthesis, characterization and antimicrobial activity evaluation(TUBITAK, 2021) Cakmak, Sukriye; Veyisoglu, AyselSynthesized the heterocyclic amide derivatives (I-IV) were from 2-thiophene acetic acid in two steps. In the first step, the intermediate acylation agent formed and isolated, then subjected to aminolysis and obtained the corresponding amide derivatives. The structures of compounds obtained were characterized by FT-IR,13C NMR,1H NMR, spectroscopies and elemental analysis techniques. The antimicrobial activities of these four compounds against Gram-negative bacteria, Gram-positive bacteria and fungi were investigated using the minimum inhibition concentration method. As a result, compounds (I and III) exhibited better good antibacterial activities against Staphylococcus aureus, Enterococcus faecalis and Pseudomonas aeruginosa compared to the commercially standard antibacterial agent of amoxicillin. © 2021, TUBITAK. All rights reserved.Öğe Inhibitory effects of sulfenimides on human and bovine carbonic anhydrase enzymes(Taylor & Francis Ltd, 2023) Yakan, Hasan; Bilir, Gurkan; Cakmak, Sukriye; Tas, Omer; Karakullukcu, Nalan Turkoz; Soydan, Ercan; Kutuk, HalilA series of sulfenimide derivatives (1a-i) were investigated as inhibitors of human (hCA-I, hCA-II) and bovine (bCA) carbonic anhydrase enzymes. The compounds were synthesised by the reaction of substituted thiophenols with phthalimide by means of an effective, simple and eco-friendly method and the structures were confirmed by IR, H-1 NMR, C-13 NMR, MS and elemental analysis. All derivatives except for the methyl derivative (1b) exhibited effective inhibitory action at low micromolar concentrations on human isoforms, but only four derivatives (1e, 1f, 1h, 1i) inhibited the bovine enzyme. The bromo derivative (1f) was found to be strongest inhibitor of all three enzymes with KI values of 0.023, 0.044 and 20.57 mu M for hCA-I, hCA-II and bCA, respectively. Results of our study will make valuable contributions to carbonic anhydrase inhibition studies for further investigations since inhibitors of this enzyme are important molecules for medicinal chemistry.Öğe New 5-methylisatin including thiocarbohydrazones: preparation, structure elucidation and antimicrobial activity(Springer, 2022) Yakan, Hasan; Cakmak, Sukriye; Buruk, Osman; Veyisoglu, Aysel; Muglu, Halit; Karakullukcu, Nalan TurkozNew 5-methylisatin including thiocarbohydrazones (1-5) have been synthesized. The chemical structure of synthesized compounds was elucidated with IR, H-1 NMR, C-13 NMR spectroscopic methods, and elemental analysis. Moreover, the synthesized compounds have been screened for antimicrobial activity. Their antibacterial activities were tested against Gram-positive (Bacillus subtilis ATCC 6623, Staphylococcus aureus ATCC 25923, Enterococcus faecalis ATCC 29212), Gram-negative (Escherichia coli ATCC 25922, Klebsiella pneumoniae ATCC 70060, Pseudomonas aeruginosa ATCC 27853), and fungal (Candida albicans ATCC 10231, Aspergillus niger ATCC 16404) microbial strains using the microdilution method. In the isatin series, particularly the compound 2 showed the best antimicrobial activity against E. faecalis strain with MIC values of 64 mu g/mL compared to other compounds. This high activity of compound 2 is due to the presence of two electron-donating methoxy groups in its structure. The remaining substituted compounds have shown good and moderate antimicrobial activity compared to standard drugs. The results may provide insights into the target compounds' structure-activity relationships, which may facilitate the development of pharmacological and biological applications for the target compounds. Graphical abstract New isatins bearing thiocarbohydrazone were synthesized. Structures of all com- pounds were elucidated with spectroscopic approaches. The antimicrobial activities of the tested compounds presented promising antimicrobial activity against the eight tested microorganisms.Öğe Novel Bis-1,3,4-Thiadiazoles Derivatives: Synthesis, Spectroscopic Characterization, DFT Calculations and Evaluation of their Antimicrobial and Antioxidant Activities(2023) Cakmak, Sukriye; Çavuş, Muhammet SerdarTwo new, bis-1,3,4-thiadiazoles derivatives (I and II), were prepared by cyclization reaction of oxalic acid with N-alkyl/allyl thiosemicarbazides and phosphorous oxychloride (POCl3). Then the newly prepared products screened for their antimicrobial and antioxidant activities. The biological activity results shown that tested compounds exhibited effective antibacterial activity against six different bacteria. However, the compound II demonstrated greater ABTS˙+ scavenging ability. The characterization of the synthesized molecules was done by FT-IR, 1H NMR, 13C NMR spectroscopic methods and elemental analysis. Moreover, the experimental FT-IR and NMR spectra of the molecules were compared with the results calculated at the cc-pvtz, 6-311g(2d,2p), and 6-311++g(2d,2p) levels of theory. The effect of substituted groups on the spectral and electronic properties of the compounds was investigated. NCI and QTAIM analyses were performed to examine the effects of allyl group and intramolecular interactions on σ and π bonds. How the N-H bonds of the substituted groups affect the bond degrees was investigated using Fuzzy, Laplacian and Mayer approaches, and the relationship of the data with the antioxidant properties of the compounds was examined. In addition, the relationship between bond stretching force constant and intrinsic bond strength index, electron density, and delocalization index for some bonds was revealed.Öğe Preparation, Characterization and Evaluation of Some New Amides as Antimicrobial Agents(2020) Cakmak, Sukriye; Veyisoglu, AyselThe some new amide derivatives 1(a-c) and, 2d were synthesized by the two-step Nacylation of 4-nitroaniline or heterocyclic amine derivatives with acyl chlorides. All of the products were determined using $^{13}C$ NMR, 1H NMR, FT-IR spectroscopies and elemental analysis. Antimicrobial activities of the molecules were evaluated against various bacterial and fungal species. The results show that the some new compounds exhibit good antibacterial and antifungal activities.Öğe Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide(Int Union Crystallography, 2023) Cakmak, Sukriye; Aycan, Tugba; Yakan, Hasan; Veyisoglu, Aysel; Tanak, Hasan; Evecen, MeryemN-[(4-Fluorophenyl)sulfanyl]phthalimide (C14H8FNO2S, FP) was synthesized and characterized using X-ray crystallography. It was then investigated via quantum chemical analysis using the density functional theory (DFT) approach, as well as spectrochemically using FT-IR and H-1 and C-13 NMR spectroscopy, and elemental analysis. The observed and stimulated spectra are in very good agreement for the DFT method. The in vitro antimicrobial activity of FP against three Gram-positive bacteria, three Gram-negative bacteria and two fungi were determined using the serial dilution method, and FP showed the highest anti-bacterial activity against E. coli, with a MIC of 128 mu g ml(-1). Druglikeness, ADME (absorption, distribution, metabolism and excretion) and toxicology studies were carried out to theoretically examine the drug properties of FP.Öğe Preparation, structural analysis, bioactivity assessment, enzyme and molecular docking calculations of some furan/thiophene-2-carboxamide derivatives(Springer, 2023) Cakmak, Sukriye; Yenigun, Semiha; Ozen, TevfikSome furan/thiophene-2-carboxamide derivatives (1-3) were prepared from acyl chlorides and heterocyclic amine derivatives with good yields, employing synthetic route and their chemical structures were confirmed using different spectroscopic methods including IR, 1H NMR, 13C NMR and elemental analysis. Three different enzyme inhibition effect tests as urease, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibiting activities, were applied to these compounds. The biological evaluation results clearly showed that the compound 1 showed approximately 9.8-fold more activity against urease enzyme than thiourea standard while the compound 3 showed approximately 4.2-fold more activity against BChE enzyme than galantamine standard. The molecular interaction for each of the target compounds with the active sites of the urease, acetylcholinesterase and butyrylcholinesterase enzymes was investigated by molecular insertion simulations and the results were confirmed the experimental findings. The results also show that compounds such as 1 and 3 carrying thiophene/furan carbocamide moieties could be used promising structures in the development of more potent pharmaceutical agents in the future.Öğe Some bis (3-(4-nitrophenyl)acrylamide derivatives: Synthesis, characterization, DFT, antioxidant, antimicrobial properties, molecular docking and molecular dynamics simulation studies(Natl Inst Science Communication-Niscair, 2023) Cakmak, Sukriye; Erdogan, TanerAlzheimer's disease, which is a progressive neurologic disorder, is the most common form of dementia. Although there are various treatment options for Alzheimer's disease, there is no definite treatment for this disease yet. In this study it was aimed to investigate the treatment potentials of three bis(3-(4-nitrophenyl)acrylamide) derivatives, two of which are known and one is new, for Alzheimer's disease. The study consists of three parts; in the first part of the study, synthesis and characterization studies of the investigated compounds were carried out. In the characterization of the compounds, IR, 1H-NMR, 13C-NMR, LC-MS and elemental analysis techniques were used. In the second part of the study, the compounds were investigated computationally with the assistance of various computational techniques including density functional theory (DFT) calculations, molecular docking and molecular dynamics simulations. In this part, binding free energy calculations were also performed on the investigated compounds. Results of computational studies showed that synthesized compounds interacted with AChE effectively and can be promising structures as AChE inhibitors. In the last part of the study, antioxidant and antimicrobial properties of the compounds were investigated. Antioxidant activities were determined by DPPH and ABTS+ radical scavenging methods. According to the DPPH test, the most active compound was found to be 2, while the most active compound was found to be 3 according to the ABTS+ test, showing that these methods for antioxidant assay were not significantly correlated with each other. On the other hand, the results of the antimicrobial activity tests showed that compound 3 was the most active compound, which exhibited both antioxidant and antimicrobial activity.Öğe Spectroscopic Properties and Preparation of Some 2,3-Dimethoxybenzamide Derivatives(Bentham Science Publ Ltd, 2016) Cakmak, Sukriye; Kutuk, Halil; Odabasoglu, Mustafa; Yakan, Hasan; Buyukgungor, OrhanIn this study, a series of substituted secondary amide compounds were synthesized starting from 2,3-dimethoxybenzoic acid and aniline derivatives. The structures of these synthesized compounds were determined using IR, H-1 NMR and C-13 NMR spectroscopy, X-ray diffraction and elemental analysis techniques. Background: Amides are important groups in organic compounds. Amides moieties are found in many natural products. We now report a complementary study of the amide derivatives and the structures of these synthesized compounds were determined using IR, H-1 NMR and C-13 NMR spectroscopy, X- ray diffraction and elemental analysis techniques. Methods: Substituted secondary amides were prepared from the corresponding 2,3-dimethoxybenzoic acid. This involved reaction of 2,3-dimethoxybenzoyl chloride with the appropriate aniline derivatives in the presence of THF to give substituted secondary amides. Results: A summary of crystallographic data, experimental details, and refinement results for compounds are given. Conclusion: In this study a simple, yet effective method was used for the synthesis of some benzamides from acyl chlorides with aniline and its derivatives in the presence of triethylamine. All the products were obtained with moderate-good yields.Öğe Synthesis and characterization of 3-acetoxy-2-methyl-N-(phenyl) benzamide and 3-acetoxy-2-methyl-N-(4-methylphenyl)benzamide(Elsevier, 2018) Kirca, Basak Kosar; Cakmak, Sukriye; Kutuk, Halil; Odabasoglu, Mustafa; Buyukgungor, OrhanThis study treats about two successfully synthesized secondary amide compounds 3-Acetoxy-2-methyl-N-(phenyl)benzamide, I and 3-Acetoxy-2-methyl-N-(4-methylphenyl)benzamide, II. Compounds were characterized by FTIR, H-1 NMR, C-13 NMR and X-ray single crystal diffraction analysis techniques. Single crystal X-ray diffraction analyses show that while I crystallized in the orthorhombic system with space group Pbca, II crystallized in the triclinic system with space group P-1 and the asymmetric unit of II consists of two crystallographically independent molecules. Lattice constants are a = 7.9713 (3) angstrom, b= 9.5059 (3) angstrom, c = 37.1762 (2) angstrom, z = 8 for I and a = 7.5579 (8) angstrom, b = 8.8601 (8) angstrom, c = 23.363 (3) angstrom, alpha = 97.011 (9), beta = 96.932 (9), gamma = 90.051 (8), Z = 4 for II. Crystallographic studies also show that the supramolecular structures were stabilized by intramolecular, intermolecular hydrogen bonds and C-H center dot center dot center dot pi interactions for both compounds. Characteristic amide bonds were observed in IR and NMR spectra. (C) 2017 Published by Elsevier B.V.Öğe Synthesis of some symmetric disulfides from thiophthalimides and amines under microwave irradiation(World Research Association, 2018) Yakan, Hasan; Karakullukcu, Nalan Turkoz; Cakmak, Sukriye; Kutuk, HalilSome symmetric disulfides have been astonishingly prepared from thiophthalimides (sulfenimides) and amines in the presence of 2-ethoxyethanol (β-ee, neat) at microwave irradiation under free catalyst and ligand. The products were obtained in good to excellent yields ranging from 62% to 92%. When only thiophthalimides were exposed to microwave irradiation, disulfides were not obtained. Also, disulfides were not obtained from thiophthalimides in the presence of 2-ethoxyethanol (neat) under microwave irradiation. We compared the microwave-assisted synthesis method with the classical method. The products obtained were purified with chromatographic method and the analysis of them was performed with IR, 1H NMR, 13C NMR spectroscopic and elemental methods. © 2018 World Research Association. All rights reserved.Öğe Synthesis, characterization, antioxidant, and antibacterial activities of new 2,3-dimethoxy and 3-acetoxy-2-methyl benzamides(Springer, 2020) Yakan, Hasan; Cakmak, Sukriye; Kutuk, Halil; Yenigun, Semiha; Ozen, TevfikWe performed a series of novel benzamide compounds which were synthesized starting from 2,3-dimethoxybenzoic acid or 3-acetoxy-2-methylbenzoic acid and amine derivatives. All the obtained products were purified, and the analysis of these products was determined with IR, H-1 NMR, C-13 NMR spectroscopic, and elemental methods. The in vitro antioxidant activity of all the compounds was determined by total antioxidant, free radical scavenging, and metal chelating activity. Some of synthesized compounds showed more effective total antioxidant, free radical scavenging, and metal chelating activity compared with standards. One of the benzamide compounds has been shown to exhibit effective metal chelate activity. The new compounds were determined in vitro antibacterial activity against three gram-positive bacteria and three gram-negative bacteria and compared with two control drugs. Thus, by conducting in vivo biochemical tests of effective amides, researches can be carried out in different fields of application. Graphic abstract We performed a series of novel benzamide compounds which were synthesized, and the analysis of these products was determined with IR, H-1 NMR, C-13 NMR spectroscopic, and elemental methods. The in vitro antioxidant activity of all the compounds was determined by total antioxidant, free radical scavenging, and metal chelating activity. All the compounds were tested for their in vitro growth inhibitory activity against different bacteria.Öğe Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate(Int Union Crystallography, 2019) Yaman, Mavise; Cakmak, Sukriye; Dege, Necmi; Odabasoglu, Mustafa; Pavlenko, Vadim A.; Kutuk, HalilThe title compound, C17H17NO3, was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two molecules, which adopt different conformations. In one molecule, the acetoxy and the terminal 2-methylphenyl groups are positioned on opposite sides of the plane formed by the central benzene ring, whereas in the other molecule they lie on the same side of this plane. In the crystal, the molecules are linked through strong N-H center dot center dot center dot O hydrogen bonds into chains along [010]. Hirshfeld surface analysis and fingerprint plots were used to investigate the intermolecular interactions in the solid state.Öğe Synthesis, spectroscopic characterization, biological activities, X-ray diffraction and molecular docking studies of 2-methyl-3-(thiazol-2-ylcarbamoyl)phenylacetate(Elsevier, 2022) Cakmak, Sukriye; Aycan, Tugba; Ozturk, Filiz; Veyisoglu, AyselWe performed a different methodology for amide bond formation, the 2-methyl-3-(thiazol-2-ylcarbamoyl)phenylacetate (MTP) compound, which was prepared from the reaction of 3-acetoxy-2-methylbenzoic anhydride with thiazol-2-amine. The MTP compound was characterized with the assistance of various spectral techniques including IR, 1 H NMR, C-13 NMR, XRD and elemental analysis. The MTP has been crystallized in the monoclinic space group P2(1) /n. The ground state molecular structure (GSMS) of the optimized MTP was obtained using the DFT/B3LYP/6-31G(d,p) method. Then, intermolecular interactions for the MTP crystal were conducted by the 2D and 3D Hirshfeld analyses. Next, the DFT-optimized structure of MTP compound was used to perform molecular docking studies with the pr-teins of bacterial and fungal organisms in order to find the most preferred binding mode of ligand within the protein cavity. Druglikeness assay, ADME and Toxicology studies have been carried out to predict whether the MTP has an effective drug characteristics or not. The antimicrobial activity of the MTP was tested in terms of antibacterial and antifungal activities. The results revealed that this MTP showed the best activity against B. licheniformis among four bacterial species and A. flavus and C. utilis among five fungal species. These findings indicate that this and similar compounds with thiazole ring can be used as antibacterial agents in the future.(C) 2022 Elsevier B.V. All rights reserved.Öğe Synthesis, Spectroscopic Characterization, Single-Crystal Structure, Hirshfeld Surface Analysis, and Antimicrobial Studies of 3-Acetoxy-2-methylbenzoic Anhydride(Amer Chemical Soc, 2022) Cakmak, Sukriye; Kansiz, Sevgi; Azam, Mohammad; Veyisoglu, Aysel; Yakan, Hasan; Min, KimWe report a novel anhydride derivative, 3-acetoxy-2-methylbenzoic anhydride (AMA), obtained from the interaction of 3-acetoxy-2-methylbenzoyl chloride with 3-acetoxy-2-methylbenzoic acid. The synthesized compound was characterized by elemental analysis, IR, H-1 NMR, and C-13 NMR spectroscopic studies and single-crystal X-ray crystallography which revealed the crystallization of AMA as monoclinic with space group P2(1)/c. A Hirshfeld surface analysis was performed to record various intermolecular interactions, indicating the stabilization of the AMA structure by the intermolecular weak C-H center dot center dot center dot O hydrogen bonds and pi center dot center dot center dot pi interactions. The title compound was screened for antibacterial and antifungal activities using a serial dilution technique under aseptic conditions. The results indicate that the title compound has significant antibacterial properties but showed no antifungal behavior.
