Crystal and mol-ecular structure of (2Z,5Z)-3-(2-meth-oxy-phen-yl)-2-[(2-meth-oxy-phen-yl)imino]-5-(4-nitro-benzyl-idene)thia-zolidin-4-one.
Acta Crystallogr E Crystallogr Commun
; 73(Pt 4): 511-514, 2017 Apr 01.
Article
em En
| MEDLINE
| ID: mdl-28435709
ABSTRACT
In the title compound, C24H19N3O5S, the thia-zole ring (r.m.s. deviation = 0.012â
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 20.92â
(6)°. The two meth-oxy-phenyl groups are perpendicular to the thia-zole ring [dihedral angles of 79.29â
(6) and 71.31â
(7)° and make a dihedral angle of 68.59â
(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-Hâ¯N, C-Hâ¯O and C-Hâ¯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.
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MEDLINE
Idioma:
En
Ano de publicação:
2017
Tipo de documento:
Article