Back to Search
Start Over
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.
- 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