Crystal structure of N-[(naphthalen-1-yl)carbamothioyl]cyclohexanecarboxamide

The title compound, C18H20N2OS, displays whole-molecule disorder over two adjacent sets of sites with an occupancy ratio of 0.630 (11):0.370 (11). In each disorder component, the cyclohexyl ring shows a chair conformation with the exocyclic C—C bond in an equatorial orientation. The dihedral angles...

Full description

Bibliographic Details
Main Authors: G. Vimala, J. Haribabu, S. Aishwarya, R. Karvembu, A. SubbiahPandi
Format: Article
Language:English
Published: International Union of Crystallography 2015-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015011950
Description
Summary:The title compound, C18H20N2OS, displays whole-molecule disorder over two adjacent sets of sites with an occupancy ratio of 0.630 (11):0.370 (11). In each disorder component, the cyclohexyl ring shows a chair conformation with the exocyclic C—C bond in an equatorial orientation. The dihedral angles between the cyclohexyl ring (all atoms) and the naphthyl ring system are 36.9 (6) for the major component and 20.7 (12)° for the minor component. Each component features an intramolecular N—H...O hydrogen bond, which closes an S(5) ring. In the crystal, inversion dimers linked by pairs of N—H...S hydrogen bonds generate R22(8) loops for both components. Aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.593 (9) Å] and a C—H...π interaction are also observed.
ISSN:2056-9890