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2-({1-[2-(Methyl-sulfan-yl)phen-yl]-1H-tetra-zol-5-yl}sulfan-yl)acetic acid.

ABSTRACT: In the title compound, C10H10N4O2S2, the tetra-zole and benzene rings are almost normal to one another, with a dihedral angle between their planes of 84.33?(9)°. In the crystal, mol-ecules are linked via pairs of bifurcated O-H?(N,N) hydrogen bonds, forming inversion dimers with graph-set motif R 4 (4)(12). The dimers are linked by significant ?-? inter-actions involving inversion-related tetra-zole rings and inversion-related benzene rings, with centroid-centroid distances of 3.7376?(14) and 3.8444?(15)?Å, respectively.

SUBMITTER: Mafud AC 

PROVIDER: S-EPMC3648285 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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2-({1-[2-(Methyl-sulfan-yl)phen-yl]-1H-tetra-zol-5-yl}sulfan-yl)acetic acid.

Mafud Ana C AC   Mascarenhas Yvonne P YP   Nascimento Alessandro S AS  

Acta crystallographica. Section E, Structure reports online 20130420 Pt 5

In the title compound, C10H10N4O2S2, the tetra-zole and benzene rings are almost normal to one another, with a dihedral angle between their planes of 84.33 (9)°. In the crystal, mol-ecules are linked via pairs of bifurcated O-H⋯(N,N) hydrogen bonds, forming inversion dimers with graph-set motif R 4 (4)(12). The dimers are linked by significant π-π inter-actions involving inversion-related tetra-zole rings and inversion-related benzene rings, with centroid-centroid distances of 3.7376 (14) and 3.  ...[more]

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