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Crystal structure of 3-benzyl-1-[(cyclo-hexyl-idene)amino]-thio-urea.


ABSTRACT: The conformation of the title compound, C14H19N3S, is partially determined by an intra-molecular N-H⋯N hydro-gen-bond inter-action, although the N-H⋯N angle of 108° is quite small. The cyclo-hexyl-idene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers, with an R 2 (2)(8) ring motif. The dimers are reinforced by pairs of C-H⋯S hydrogen bonds, and are linked by further weak C-H⋯S hydrogen bonds, forming chains propagating along [100].

SUBMITTER: Mohamed SK 

PROVIDER: S-EPMC4719888 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 3-benzyl-1-[(cyclo-hexyl-idene)amino]-thio-urea.

Mohamed Shaaban K SK   Mague Joel T JT   Akkurt Mehmet M   Hassan Alaa A AA   Abdel-Aziz Ahmed T AT   Albayati Mustafa R MR  

Acta crystallographica. Section E, Crystallographic communications 20151114 Pt 12


The conformation of the title compound, C14H19N3S, is partially determined by an intra-molecular N-H⋯N hydro-gen-bond inter-action, although the N-H⋯N angle of 108° is quite small. The cyclo-hexyl-idene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers, with an R 2 (2)(8) ring motif. The dimers are reinforced by pairs of C-H⋯S hydrogen bonds, and are link  ...[more]

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