Crystal and molecular structure of (2 Z ,5 Z )-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Acta crystallographica Section E : Crystallographic communications [2015-...] Année : 2017

Crystal and molecular structure of (2 Z ,5 Z )-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one

Résumé

In the title compound, C24H19N3O5S, the thiazole ring (r.m.s. deviation = 0.012 A) displays a planar geometry and is surrounded by three fragments, two methoxyphenyl and one nitrophenyl. The thiazole ring is almost in the same plane as the nitrophenyl ring, making a dihedral angle of 20.92 (6)degrees. The two methoxyphenyl groups are perpendicular to the thiazole ring [dihedral angles of 79.29 (6) and 71.31 (7)degrees and make a dihedral angle of 68.59 (7)degrees. The molecule exists in an Z,Z conformation with respect to the C=N imine bond. In the crystal, a series of C-H...N, C-H...O and C-H...S hydrogen bonds, augmented by several [pi]-[pi](ring) interactions, produce a three-dimensional architecture of molecules stacked along the b-axis direction. The experimentally derived structure is compered with that calculated theoretically using DFT(B3YLP) methods.

Dates et versions

hal-02273053 , version 1 (28-08-2019)

Identifiants

Citer

Ahmed Djafri, Abdelkader Chouaih, Jean-Claude Daran, Ayada Djafri, Fodil Hamzaoui. Crystal and molecular structure of (2 Z ,5 Z )-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one. Acta crystallographica Section E : Crystallographic communications [2015-..], 2017, 73 (4), pp.511-514. ⟨10.1107/S2056989017003218⟩. ⟨hal-02273053⟩
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