Abstract
In the title compound, C14H17N3O3S, the nitro group is twisted slightly by 2.6 (3)° from the benzene ring plane and the thioureido group makes a dihedral angle of 52.06 (4)° with the benzene ring. The cyclohexyl ring displays a chair conformation. An intramolecular N—H⋯O interaction is present. In the crystal, intermolecular N—H⋯S hydrogen bonds link the molecules into centrosymmetric dimers. π–π interactions between inversion-related benzene rings (centroid–centroid distance = 4.044 Å) and C—H⋯π interactions (H⋯centroid distance = 3.116 Å) between one methylene cyclohexyl H atom and the benzene ring are also present.
Highlights
In the title compound, C14H17N3O3S, the nitro group is twisted slightly by 2.6 (3) from the benzene ring plane and the thioureido group makes a dihedral angle of 52.06 (4) with the benzene ring
Intermolecular N—HÁ Á ÁS hydrogen bonds link the molecules into centrosymmetric dimers. – interactions between inversion-related benzene rings and C—HÁ Á Á interactions (HÁ Á Ácentroid distance = 3.116 A ) between one methylene cyclohexyl H atom and the benzene ring are present
The authors are grateful to the Department of Chemistry, Allama Iqbal Open University, Islamabad, and The Hong Kong Polytechnic University for providing laboratory and analytical facilities
Summary
Absorption correction: multi-scan (SADABS; Bruker, 2001) Tmin = 0.909, Tmax = 0.943. Refinement R[F 2 > 2(F 2)] = 0.037 wR(F 2) = 0.108 S = 1.04 3683 reflections 200 parameters. C14H17N3O3S, the nitro group is twisted slightly by 2.6 (3) from the benzene ring plane and the thioureido group makes a dihedral angle of 52.06 (4) with the benzene ring. The cyclohexyl ring displays a chair conformation. An intramolecular N—HÁ Á ÁO interaction is present. Intermolecular N—HÁ Á ÁS hydrogen bonds link the molecules into centrosymmetric dimers. – interactions between inversion-related benzene rings (centroid–centroid distance = 4.044 A ) and C—HÁ Á Á interactions (HÁ Á Ácentroid distance = 3.116 A ) between one methylene cyclohexyl H atom and the benzene ring are present
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