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

The title compound, C(18)H(20)N(2)OS, 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...

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Detalles Bibliográficos
Autores principales: Vimala, G., Haribabu, J., Aishwarya, 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/PMC4518972/
https://www.ncbi.nlm.nih.gov/pubmed/26279935
http://dx.doi.org/10.1107/S2056989015011950
Descripción
Sumario:The title compound, C(18)H(20)N(2)OS, 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 R (2) (2)(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.