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1-[(Cyclo-hexyl-idene)amino]-3-(prop-2-en-1-yl)thio-urea.

ABSTRACT: The asymmetric unit of the title compound, C10H17N3S, consists of three symmetry-independent mol-ecules with distinctly different conformations, as indicated for example by the C-N-C-C torsion angles of -155.9?(3), 89.9?(3) and 81.1?(4)° along the bond between thio-urea and allyl units. In the crystal, mol-ecules are connected via N-H?N and N-H?S hydrogen bonds into chains extending along [110] that are further associated through C-H?N inter-actions into layers parallel to (001). The allyl group in one of the independent mol-ecules is disordered over two sets of sites with an occupancy ratio of 0.853?(6):0.147?(6).

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC4120545 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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1-[(Cyclo-hexyl-idene)amino]-3-(prop-2-en-1-yl)thio-urea.

Mohamed Shaaban K SK Mague Joel T JT Akkurt Mehmet M Hassan Alaa A AA Albayati Mustafa R MR

Acta crystallographica. Section E, Structure reports online 20140625 Pt 7

The asymmetric unit of the title compound, C10H17N3S, consists of three symmetry-independent mol-ecules with distinctly different conformations, as indicated for example by the C-N-C-C torsion angles of -155.9 (3), 89.9 (3) and 81.1 (4)° along the bond between thio-urea and allyl units. In the crystal, mol-ecules are connected via N-H⋯N and N-H⋯S hydrogen bonds into chains extending along [110] that are further associated through C-H⋯N inter-actions into layers parallel to (001). The allyl group ...[more]

PMID: 25161602

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