6-Bromo-1-methyl-4-[2-(4-nitrobenzylidene)hydrazin-1-yl-idene]-2,2-dioxo-3, 4-dihydro-1H-2λ6,1-benzothiazine

Muhammad Shafiq*, William Thomas Alexander Harrison, Islam Ullah Khan

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

In the title compound, C16H13BrN4O 4S, 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 interactions link the molecules and weak aromatic π-π stacking [centroid-centroid separation = 3.874 (2) Å] is also observed.

Original languageEnglish
Article numbero2717
Number of pages8
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Early online dateSep 2012
DOIs
Publication statusPublished - Sep 2012

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Dihedral angle
Atoms
centroids
dihedral angle
rings
Benzene
Torsional stress
Conformations
Crystals
Molecules
torsion
atoms
envelopes
benzene
deviation
crystals
molecules
interactions

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

@article{21963688133f49899cd34bce6095af0e,
title = "6-Bromo-1-methyl-4-[2-(4-nitrobenzylidene)hydrazin-1-yl-idene]-2,2-dioxo-3, 4-dihydro-1H-2λ6,1-benzothiazine",
abstract = "In the title compound, C16H13BrN4O 4S, 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) {\AA} from the mean plane of the other five atoms (r.m.s. deviation = 0.017 {\AA}). In the crystal, C - H⋯O interactions link the molecules and weak aromatic π-π stacking [centroid-centroid separation = 3.874 (2) {\AA}] is also observed.",
author = "Muhammad Shafiq and Harrison, {William Thomas Alexander} and Khan, {Islam Ullah}",
year = "2012",
month = "9",
doi = "10.1107/S1600536812035374",
language = "English",
volume = "68",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - 6-Bromo-1-methyl-4-[2-(4-nitrobenzylidene)hydrazin-1-yl-idene]-2,2-dioxo-3, 4-dihydro-1H-2λ6,1-benzothiazine

AU - Shafiq, Muhammad

AU - Harrison, William Thomas Alexander

AU - Khan, Islam Ullah

PY - 2012/9

Y1 - 2012/9

N2 - In the title compound, C16H13BrN4O 4S, 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 interactions link the molecules and weak aromatic π-π stacking [centroid-centroid separation = 3.874 (2) Å] is also observed.

AB - In the title compound, C16H13BrN4O 4S, 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 interactions link the molecules and weak aromatic π-π stacking [centroid-centroid separation = 3.874 (2) Å] is also observed.

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DO - 10.1107/S1600536812035374

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JO - Acta Crystallographica Section E: Structure Reports Online

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