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Crystal structure of 1-(4-formyl-benzyl-idene)thio-semicarbazone.

ABSTRACT: The asymmetric unit of the title compound, C9H9N3OS, contains two approximately planar mol-ecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045?Å), with different conformations. In one of them, the C=O group is syn to the S atom and in the other it is anti. Each mol-ecule features an intra-molecular N-H?N hydrogen bond, which generates an S(5) ring. In the crystal, mol-ecules are linked by N-H?O and N-H?S hydrogen bonds, generating discrete networks; the syn mol-ecules form [010] chains and the anti mol-ecules form (100) sheets.

SUBMITTER: Carballo R

PROVIDER: S-EPMC4186181 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 1-(4-formyl-benzyl-idene)thio-semicarbazone.

Carballo Rosa R Pino-Cuevas Arantxa A Vázquez-López Ezequiel M EM

Acta crystallographica. Section E, Structure reports online 20140806 Pt 9

The asymmetric unit of the title compound, C9H9N3OS, contains two approximately planar mol-ecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045 Å), with different conformations. In one of them, the C=O group is syn to the S atom and in the other it is anti. Each mol-ecule features an intra-molecular N-H⋯N hydrogen bond, which generates an S(5) ring. In the crystal, mol-ecules are linked by N-H⋯O and N-H⋯S hydrogen bonds, generating discrete networks; the syn mol-ecules form [010] chain ...[more]

PMID: 25309285

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Crystal structure of S-hexyl (E)-3-(2-hy-droxy-benzyl-idene)di-thio-carbazate.

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Crystal structure of 3-benzyl-1-[(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)amino]-thio-urea.

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