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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.

PROVIDER: S-EPMC3344618 | BioStudies |

REPOSITORIES: biostudies

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2-(4-Nitro-phen-yl)-5-phenyl-furan.

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Project description:There are two symmetry-independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(15)H(10)BrFO(2)S. The dihedral angle formed by the 4-bromo-phenyl ring and the mean plane of the benzofuran fragment is 88.26?(6)° in mol-ecule A and 88.25?(6)° in mol-ecule B. In the crystal, mol-ecules are linked by weak inter-molecular C-H?F, C-H?O and C-H?? inter-actions. The crystal structure also exhibits inter-molecular C-Br?? [3.737?(3)?Å] inter-actions, and weak ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.557?(3)?Å, inter-planar distance = 3.421?(3)?Å and slippage = 0.974?(3)?Å].

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Crystal structures of 3-fluoro-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide, 3-bromo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide and 3-iodo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide.

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