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Crystal and mol-ecular structure of (2 Z ,5 Z )-3-(2-meth-oxy-phen-yl)-2-[(2-meth-oxy-phen-yl)imino]-5-(4-nitro-benzyl-idene)thia-zolidin-4-one.

Authors :
Djafri A
Chouaih A
Daran JC
Djafri A
Hamzaoui F
Source :
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2017 Mar 14; Vol. 73 (Pt 4), pp. 511-514. Date of Electronic Publication: 2017 Mar 14 (Print Publication: 2017).
Publication Year :
2017

Abstract

In the title compound, C <subscript>24</subscript> H <subscript>19</subscript> N <subscript>3</subscript> O <subscript>5</subscript> S, the thia-zole ring (r.m.s. deviation = 0.012 Å) displays a planar geometry and is surrounded by three fragments, two meth-oxy-phenyl and one nitro-phenyl. The thia-zole ring is almost in the same plane as the nitro-phenyl ring, making a dihedral angle of 20.92 (6)°. The two meth-oxy-phenyl groups are perpendicular to the thia-zole ring [dihedral angles of 79.29 (6) and 71.31 (7)° and make a dihedral angle of 68.59 (7)°. The mol-ecule 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) inter-actions, produce a three-dimensional architecture of mol-ecules stacked along the b -axis direction. The experimentally derived structure is compered with that calculated theoretically using DFT(B3YLP) methods.

Details

Language :
English
ISSN :
2056-9890
Volume :
73
Issue :
Pt 4
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Crystallographic communications
Publication Type :
Academic Journal
Accession number :
28435709
Full Text :
https://doi.org/10.1107/S2056989017003218