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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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