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

ABSTRACT: In the title mol-ecule, C(7)H(7)N(3)S(2), the dihedral angle between the thio-phene and thia-diazole rings is 72.99?(5)°; the two rings are oriented so that the S atoms in each ring are on the same side. In the crystal, the three-dimensional network involves strong N-H?O hydrogen bonds, as well as C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.654?(1) and 3.495?(1)?Å].

SUBMITTER: Koysal Y

PROVIDER: S-EPMC3344432 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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

Köysal Yavuz Y Deniz Sadık S Butcher Ray J RJ Oztürk Yildirim Sema S Jasinski Jerry P JP Keeley Amanda C AC

Acta crystallographica. Section E, Structure reports online 20120404 Pt 5

In the title mol-ecule, C(7)H(7)N(3)S(2), the dihedral angle between the thio-phene and thia-diazole rings is 72.99 (5)°; the two rings are oriented so that the S atoms in each ring are on the same side. In the crystal, the three-dimensional network involves strong N-H⋯O hydrogen bonds, as well as C-H⋯π and π-π stacking inter-actions [centroid-centroid distances = 3.654 (1) and 3.495 (1) Å]. ...[more]

PMID: 22590194

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