Cargando…

Crystal structure of N-[(4-eth­oxy­phen­yl)carbamo­thio­yl]cyclo­hexa­ne­carboxamide

The asymmetric unit of the title compound, C(16)H(22)N(2)O(2)S, contains two crystallographically independent mol­ecules (A and B). In mol­ecule A, the cyclo­hexane ring is disordered over two orientations [occupancy ratio 0.841 (10):0.159 (10)]. In each mol­ecule, the central carbonyl thio­urea uni...

Descripción completa

Detalles Bibliográficos
Autores principales: Vimala, G., Haribabu, J., Srividya, S., Karvembu, R., SubbiahPandi, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645074/
https://www.ncbi.nlm.nih.gov/pubmed/26594545
http://dx.doi.org/10.1107/S205698901501806X
Descripción
Sumario:The asymmetric unit of the title compound, C(16)H(22)N(2)O(2)S, contains two crystallographically independent mol­ecules (A and B). In mol­ecule A, 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 mol­ecule A and 0.094 Å in mol­ecule B). In both mol­ecules, the cyclo­hexane ring adopts a chair conformation. The mean plane of the cyclo­hexane ring makes dihedral angles of 35.8 (4) (mol­ecule A) and 20.7 (3)° (mol­ecule B) with that of the benzene ring. Each mol­ecule features an intra­molecular N—H⋯O hydrogen bond, which closes an S(6) ring motif. In the crystal, mol­ecules are linked via pairs of weak N—H⋯S inter­actions, forming inversion dimers with an R (2) (2)(8) ring motif for both mol­ecules. The crystal structure also features weak C—H⋯π ring inter­actions.