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Crystal structure ofN-[(4-ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide

Authors :
Jebiti Haribabu
Ramasamy Karvembu
Swaminathan Srividya
A. SubbiahPandi
G. Vimala
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 11, Pp o820-o821 (2015)
Publication Year :
2015
Publisher :
International Union of Crystallography (IUCr), 2015.

Abstract

The asymmetric unit of the title compound, C16H22N2O2S, contains two crystallographically independent molecules (AandB). In moleculeA, the cyclohexane ring is disordered over two orientations [occupancy ratio 0.841 (10):0.159 (10)]. In each molecule, the central carbonyl thiourea unit is nearly planar (r.m.s. deviations for all non-H atoms of 0.034 Å in moleculeAand 0.094 Å in moleculeB). In both molecules, the cyclohexane ring adopts a chair conformation. The mean plane of the cyclohexane ring makes dihedral angles of 35.8 (4) (moleculeA) and 20.7 (3)° (moleculeB) with that of the benzene ring. Each molecule features an intramolecular N—H...O hydrogen bond, which closes anS(6) ring motif. In the crystal, molecules are linkedviapairs of weak N—H...S interactions, forming inversion dimers with anR22(8) ring motif for both molecules. The crystal structure also features weak C—H...π ring interactions.

Details

ISSN :
20569890
Volume :
71
Database :
OpenAIRE
Journal :
Acta Crystallographica Section E Crystallographic Communications
Accession number :
edsair.doi.dedup.....fea07b753f3341f6590c978797b20097
Full Text :
https://doi.org/10.1107/s205698901501806x