Albayrak, CigdemKosar, BasakOdabasoglu, MustafaBuyukgungor, Orhan2025-03-232025-03-2320101063-7745https://doi.org/10.1134/S1063774510070175https://hdl.handle.net/11486/5332The crystal structure of hexakis(4-phormylphenoxy)cyclotriphosphazene is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has C-HaEuro broken vertical bar pi interaction with phosphazene ring. The molecules in the unit cell are packed with Van der Waals and dipole-dipole interactions and the molecules are packed in zigzag shaped. Optimized molecular geometry is calculated with DFT at B3LYP/6-311G(d,p) level. The results from both experimental and theoretical calculations are compared in this study.eninfo:eu-repo/semantics/closedAccessCyclotriphosphazenesDensityArticle5571203120610.1134/S10637745100701752-s2.0-78649827225Q4WOS:000284774700017Q4