1.
Acta Crystallogr Sect E Struct Rep Online
; 65(Pt 12): o3200-1, 2009 Nov 25.
Artigo
em Inglês
| MEDLINE
| ID: mdl-21578910
RESUMO
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 73.92â (8)° and the thia-diazole group S atom is orientated towards the benzene ring, the central S-C-C-C torsion angle being 45.44â (18)°. In the crystal, supra-molecular tapes mediated by N-Hâ¯N hydrogen bonds and comprising alternating eight-membered {â¯HNCN}(2) and 10-membered {â¯HNHâ¯NN}(2) synthons are formed along [010]. The tapes are consolidated into a three-dimensional network by a combination of C-Hâ¯O, C-Hâ¯S and C-Hâ¯π inter-actions.