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(Z)-7-[2-(4-Bromo-phen-yl)hydrazin-1-yl-idene]-6-methyl-3-(pyridin-4-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine.

ABSTRACT: In the asymmetric unit of the title compound, C(16)H(12)BrN(7)S, there are two crystallographically independent mol-ecules with similar conformations. Both mol-ecules are slightly twisted; the central 1,2,4-triazolo[3,4-b]-1,3,4-thia-diazine ring system makes dihedral angles of 9.65?(15) and 13.29?(15)° with the pyridine and benzene rings, respectively, in one mol-ecule, whereas the corresponding values in the other mol-ecule are 9.30?(15) and 4.84?(15)°. A weak intra-molecular C-H?N inter-action with an S(6) ring motif is observed in each mol-ecule. In the crystal, the independent mol-ecules are each linked through N-H?N hydrogen bonds and weak C-H?N interactions into ribbons along the c axis. The ribbons are further linked together by weak C-H?N, C-H?? and ?-? [centroid-centroid distances = 3.572?(2)-3.884?(2)?Å] inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3344618 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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(Z)-7-[2-(4-Bromo-phen-yl)hydrazin-1-yl-idene]-6-methyl-3-(pyridin-4-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine.

Fun Hoong-Kun HK Chantrapromma Suchada S Bhat Mashooq A MA Abdel-Aziz Hatem A HA

Acta crystallographica. Section E, Structure reports online 20120425 Pt 5

In the asymmetric unit of the title compound, C(16)H(12)BrN(7)S, there are two crystallographically independent mol-ecules with similar conformations. Both mol-ecules are slightly twisted; the central 1,2,4-triazolo[3,4-b]-1,3,4-thia-diazine ring system makes dihedral angles of 9.65 (15) and 13.29 (15)° with the pyridine and benzene rings, respectively, in one mol-ecule, whereas the corresponding values in the other mol-ecule are 9.30 (15) and 4.84 (15)°. A weak intra-molecular C-H⋯N inter-actio ...[more]

PMID: 22590380

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