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5-[(E)-(5-Bromo-2-hy-droxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

ABSTRACT: In the title mol-ecule, C(9)H(6)BrN(3)OS(2), the dihedral angle between the benzene ring and the five-membered ring is 5.5?(3)°. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. In the crystal, N-H?S hydrogen bonds link mol-ecules into centrosymmetric dimers creating R(2) (2)(8) ring motifs. In addition, there are inter-molecular S?S [3.430?(2)?Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113?(3):0.887?(3) for the components.

SUBMITTER: Kargar H

PROVIDER: S-EPMC3239069 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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5-[(E)-(5-Bromo-2-hy-droxy-benzyl-idene)amino]-1,3,4-thia-diazole-2(3H)-thione.

Kargar Hadi H Kia Reza R Tahir Muhammad Nawaz MN

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

In the title mol-ecule, C(9)H(6)BrN(3)OS(2), the dihedral angle between the benzene ring and the five-membered ring is 5.5 (3)°. An intra-molecular O-H⋯N hydrogen bond forms an S(6) ring motif. In the crystal, N-H⋯S hydrogen bonds link mol-ecules into centrosymmetric dimers creating R(2) (2)(8) ring motifs. In addition, there are inter-molecular S⋯S [3.430 (2) Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113 (3):0.887 (3) for the components. ...[more]

PMID: 22199917

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