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6-Bromo-4-[2-(4-fluoro-benzyl-idene)hydrazin-1-yl-idene]-1-methyl-3,4-dihydro-1H-2?(6),1-benzothia-zine-2,2-dione.

ABSTRACT: In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55?(19)° and the C=N-N=C torsion angle is 178.9?(3)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.811?(3)?Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042?Å). In the crystal, C-H?O inter-actions link the mol-ecules and weak aromatic ?-? stacking between the fluoro-benzene and bromo-benzene rings [centroid-centroid separation = 3.720?(2)?Å and inter-planar angle = 2.6?(2)°] is also observed.

SUBMITTER: Shafiq M

PROVIDER: S-EPMC3470210 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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6-Bromo-4-[2-(4-fluoro-benzyl-idene)hydrazin-1-yl-idene]-1-methyl-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

Shafiq Muhammad M Khan Islam Ullah IU Harrison William T A WT Hussain Ajaz A Ashraf Hina H

Acta crystallographica. Section E, Structure reports online 20120905 Pt 10

In the title compound, C(16)H(13)BrFN(3)O(2)S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N-N=C torsion angle is 178.9 (3)°. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules and weak aromatic π-π stacking between the fluoro-benzene and bromo-benzene rings [centroid-centroid separation = 3.720 ( ...[more]

PMID: 23125654

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