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

ABSTRACT: In the title compound, C(16)H(13)BrN(4)O(4)S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N-N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thia-zine ring has an S-envelope conformation with the S atom displaced by 0.819 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules and weak aromatic π-π stacking [centroid-centroid separation = 3.874 (2) Å] is also observed.

SUBMITTER: Shafiq M

PROVIDER: S-EPMC3435732 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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

Shafiq Muhammad M Harrison William T A WT Khan Islam Ullah IU

Acta crystallographica. Section E, Structure reports online 20120815 Pt 9

In the title compound, C(16)H(13)BrN(4)O(4)S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N-N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thia-zine ring has an S-envelope conformation with the S atom displaced by 0.819 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017 Å). In the crystal, C-H⋯O inter-actions link the mol-ecules and weak aromatic π- ...[more]

PMID: 22969603

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