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5-(3-Nitro-benz-yl)-1,3,4-thia-diazol-2-amine.

ABSTRACT: In the title mol-ecule, C(9)H(8)N(4)O(2)S, the dihedral angle between the thia-diazole and benzene rings is 73.92?(8)° and the thia-diazole group S atom is orientated towards the benzene ring, the central S-C-C-C torsion angle being 45.44?(18)°. In the crystal, supra-molecular tapes mediated by N-H?N hydrogen bonds and comprising alternating eight-membered {?HNCN}(2) and 10-membered {?HNH?NN}(2) synthons are formed along [010]. The tapes are consolidated into a three-dimensional network by a combination of C-H?O, C-H?S and C-H?? inter-actions.

SUBMITTER: Carvalho SA 

PROVIDER: S-EPMC2971864 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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5-(3-Nitro-benz-yl)-1,3,4-thia-diazol-2-amine.

Carvalho Samir A SA   de Feitosa Larisse O LO   da Silva Edson F EF   Tiekink Edward R T ER   Wardell James L JL   Wardell Solange M S V SM  

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the title mol-ecule, C(9)H(8)N(4)O(2)S, the dihedral angle between the thia-diazole and benzene rings is 73.92 (8)° and the thia-diazole group S atom is orientated towards the benzene ring, the central S-C-C-C torsion angle being 45.44 (18)°. In the crystal, supra-molecular tapes mediated by N-H⋯N hydrogen bonds and comprising alternating eight-membered {⋯HNCN}(2) and 10-membered {⋯HNH⋯NN}(2) synthons are formed along [010]. The tapes are consolidated into a three-dimensional network by a com  ...[more]

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