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

Acta Crystallographica Section E: Crystallographic Communications

Aishwarya, S.¹  Karvembu, R.¹  Haribabu, J.¹  Vimala, G.²  SubbiahPandi, A.² 

[1] Department of Chemistry, National Institute of Technology, Trichy 620 015, India;Department of Physics, Presidency College (Autonomous), Chennai 600 005, India

关键词: CRYSTAL STRUCTURE;    WHOLE-MOLECULE DISORDER;    THIOUREA DERIVATIVES;    INTRAMOLECULAR N-H...O HYDROGEN BOND;    N-H...S HYDROGEN BONDS;    [PI]-[PI] STACKING INTERACTIONS;    C-H...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989015011950

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

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