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(E)-2-[1-(1-Benzothio-phen-3-yl)ethyl-idene]hydrazinecarbothio-amide methanol hemisolvate.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(11)N(3)S(2)·0.5CH(4)O, contains four thio-semicarbazone mol-ecules and two methanol solvent mol-ecules. Each hydrazinecarbothio-amide mol-ecule adopts an E configuration with respect to the C=N double bond and is stabilized by an intra-molecular N-H?N hydrogen bond, resulting in an S(5) ring motif. In the crystal structure, an extensive network of N-H?O, N-H?N, O-H?S and N-H?S hydrogen bonds and weak C-H?O, C-H?N and C-H?S contacts together with an S?S [3.5958?(14)?Å] and a C-H?? inter-action form a three-dimensional network.

SUBMITTER: Kayed SF

PROVIDER: S-EPMC2961618 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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(E)-2-[1-(1-Benzothio-phen-3-yl)ethyl-idene]hydrazinecarbothio-amide methanol hemisolvate.

Kayed Safa'a Fares SF Farina Yang Y Kassim Mohammad M Simpson Jim J

Acta crystallographica. Section E, Structure reports online 20080510 Pt 6

The asymmetric unit of the title compound, C(11)H(11)N(3)S(2)·0.5CH(4)O, contains four thio-semicarbazone mol-ecules and two methanol solvent mol-ecules. Each hydrazinecarbothio-amide mol-ecule adopts an E configuration with respect to the C=N double bond and is stabilized by an intra-molecular N-H⋯N hydrogen bond, resulting in an S(5) ring motif. In the crystal structure, an extensive network of N-H⋯O, N-H⋯N, O-H⋯S and N-H⋯S hydrogen bonds and weak C-H⋯O, C-H⋯N and C-H⋯S contacts together with ...[more]

PMID: 21202547

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