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N-Cyclo-hexyl-N'-(4-nitro-benzo-yl)thio-urea.

ABSTRACT: In the title compound, C(14)H(17)N(3)O(3)S, the nitro group is twisted slightly by 2.6?(3)° from the benzene ring plane and the thio-ureido group makes a dihedral angle of 52.06?(4)° with the benzene ring. The cyclo-hexyl ring displays a chair conformation. An intra-molecular N-H?O inter-action is present. In the crystal, inter-molecular N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers. ?-? inter-actions between inversion-related benzene rings (centroid-centroid distance = 4.044?Å) and C-H?? inter-actions (H?centroid distance = 3.116?Å) between one methyl-ene cyclo-hexyl H atom and the benzene ring are also present.

SUBMITTER: Saeed S

PROVIDER: S-EPMC2979108 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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N-Cyclo-hexyl-N'-(4-nitro-benzo-yl)thio-urea.

Saeed Sohail S Rashid Naghmana N Wong Wing-Tak WT

Acta crystallographica. Section E, Structure reports online 20100410 Pt 5

In the title compound, C(14)H(17)N(3)O(3)S, the nitro group is twisted slightly by 2.6 (3)° from the benzene ring plane and the thio-ureido group makes a dihedral angle of 52.06 (4)° with the benzene ring. The cyclo-hexyl ring displays a chair conformation. An intra-molecular N-H⋯O inter-action is present. In the crystal, inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers. π-π inter-actions between inversion-related benzene rings (centroid-centroid distance = 4. ...[more]

PMID: 21579095

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