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5-(2-Methyl-phen-yl)-1,3,4-thia-diazol-2-amine.

ABSTRACT: The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol-ecules, in which the thia-diazole and tolyl rings are oriented at dihedral angles of 32.25?(3) and 74.50?(3)°. An intra-molecular C-H?S inter-action results in the formation of a five-membered ring. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains along the a axis. A ?-? contact between the thia-diazole rings [centroid-centroid distance = 3.910?(3)?Å] may further stabilize the structure. There is also a weak C-H?? inter-action.

SUBMITTER: Wang Y 

PROVIDER: S-EPMC2977661 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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5-(2-Methyl-phen-yl)-1,3,4-thia-diazol-2-amine.

Wang Yao Y   Kong Xiang-Jun XJ   Wan Rong R   Han Feng F   Wang Peng P  

Acta crystallographica. Section E, Structure reports online 20090402 Pt 5

The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol-ecules, in which the thia-diazole and tolyl rings are oriented at dihedral angles of 32.25 (3) and 74.50 (3)°. An intra-molecular C-H⋯S inter-action results in the formation of a five-membered ring. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains along the a axis. A π-π contact between the thia-diazole rings [centroid-centroid distance = 3.910  ...[more]

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