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

ABSTRACT: In the title compound, C(11)H(11)N(3)O(2)S(2), the dihedral angle between the benzene ring and the five-membered ring is 6.85?(9)°. An intra-molecular O-H?N hydrogen bond makes an S(6) ring motif. In the crystal, mol-ecules are linked through bifurcated N-H?(O,O) hydrogen bonds with R(1) (2)(5) ring motifs, forming chains along the b axis. A short C?S contact [3.3189?(19)?Å], which is shorter than the sum of the van der Waals radii of these atoms (3.50?Å), occurs in the structure. The crystal structure is further stabilized by C-H?N hydrogen bonding and ?-? inter-actions [centroid-centroid distance = 3.7649?(12)?Å].

SUBMITTER: Kargar H

PROVIDER: S-EPMC3239070 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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

Kargar Hadi H Kia Reza R

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

In the title compound, C(11)H(11)N(3)O(2)S(2), the dihedral angle between the benzene ring and the five-membered ring is 6.85 (9)°. An intra-molecular O-H⋯N hydrogen bond makes an S(6) ring motif. In the crystal, mol-ecules are linked through bifurcated N-H⋯(O,O) hydrogen bonds with R(1) (2)(5) ring motifs, forming chains along the b axis. A short C⋯S contact [3.3189 (19) Å], which is shorter than the sum of the van der Waals radii of these atoms (3.50 Å), occurs in the structure. The crystal st ...[more]

PMID: 22199918

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