5-(3-Nitro­benz­yl)-1,3,4-thia­diazol-2-amine

In the title mol­ecule, C(9)H(8)N(4)O(2)S, the dihedral angle between the thia­diazole and benzene rings is 73.92 (8)° and the thia­diazole group S atom is orientated towards the benzene ring, the central S—C—C—C torsion angle being 45.44 (18)°. In the crystal, supra­molecular tapes mediated by N—H⋯...

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Detalles Bibliográficos
Autores principales: Carvalho, Samir A., de Feitosa, Larisse O., da Silva, Edson F., Tiekink, Edward R. T., Wardell, James L., Wardell, Solange M. S. V.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971864/
https://www.ncbi.nlm.nih.gov/pubmed/21578910
http://dx.doi.org/10.1107/S1600536809049654
Descripción
Sumario:In the title mol­ecule, C(9)H(8)N(4)O(2)S, the dihedral angle between the thia­diazole and benzene rings is 73.92 (8)° and the thia­diazole group S atom is orientated towards the benzene ring, the central S—C—C—C torsion angle being 45.44 (18)°. In the crystal, supra­molecular 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⋯π inter­actions

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