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

Acta Crystallographica Section E: Crystallographic Communications

Chouaih, A.¹  Hamzaoui, F.²  Djafri, A.³  Daran, J.-C.³ 

[1] Centre de Recherche Scientifique et Technique en Analyses Physico-chimiques (CRAPC), BP 384-Bou-Ismail-RP 42004, Tipaza, Algeria;Laboratory of Organic Applied Synthesis (LSOA), Department of Chemistry, Faculty of Sciences, University of Oran 1, Ahmed Ben Bella, 31000 Oran, Algeria;Laboratory of Technology and Solid Properties (LTPS), Abdelhamid Ibn Badis University, BP 227 Mostaganem 27000, Algeria

关键词: CRYSTAL STRUCTURE;    THIAZOLIDIN-4-ONE;    DFT CALCULATIONS;    HYDROGEN BONDING;    [PI]-[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989017003218

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C24H19N3O5S, the thia­zole ring (r.m.s. deviation = 0.012 Å) 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)°. The two meth­oxy­phenyl groups are perpendicular to the thia­zole ring [dihedral angles of 79.29 (6) and 71.31 (7)° and make a dihedral angle of 68.59 (7)°. 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 π–π(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.

【 授权许可】

CC BY