6-Bromo-4-[2-(4-fluorobenzylidene)-hydrazin-1-ylidene]-1-methyl-3, 4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

Muhammad Shafiq*, Islam Ullah Khan, William T.A. Harrison, Ajaz Hussain, Hina Ashraf

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

In the title compound, C16H13BrFN3O 2S, 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 thiazine 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 = 0.042Å). In the crystal, C - H···O interactions link the molecules and weak aromatic π-π stacking between the fluorobenzene and bromobenzene rings [centroid-centroid separation = 3.720 (2)Å and interplanar angle = 2.6 (2)°] is also observed.

Original languageEnglish
Article numbero2851
Number of pages7
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number10
DOIs
Publication statusPublished - 1 Oct 2012

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Dione
Fluorobenzenes
Thiazines
Atoms
centroids
rings
Dihedral angle
thiazine (trademark)
Torsional stress
Conformations
Crystals
Molecules
torsion
atoms
dihedral angle
envelopes
deviation
crystals
molecules
interactions

ASJC Scopus subject areas

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

Cite this

6-Bromo-4-[2-(4-fluorobenzylidene)-hydrazin-1-ylidene]-1-methyl-3, 4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione. / Shafiq, Muhammad; Khan, Islam Ullah; Harrison, William T.A.; Hussain, Ajaz; Ashraf, Hina.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 10, o2851, 01.10.2012.

Research output: Contribution to journalArticle

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abstract = "In the title compound, C16H13BrFN3O 2S, 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 thiazine ring is an envelope, with the S atom displaced by - 0.811 (3){\AA} from the mean plane of the other five atoms (r.m.s. deviation = 0.042{\AA}). In the crystal, C - H···O interactions link the molecules and weak aromatic π-π stacking between the fluorobenzene and bromobenzene rings [centroid-centroid separation = 3.720 (2){\AA} and interplanar angle = 2.6 (2)°] is also observed.",
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AU - Shafiq, Muhammad

AU - Khan, Islam Ullah

AU - Harrison, William T.A.

AU - Hussain, Ajaz

AU - Ashraf, Hina

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Y1 - 2012/10/1

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AB - In the title compound, C16H13BrFN3O 2S, 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 thiazine 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 = 0.042Å). In the crystal, C - H···O interactions link the molecules and weak aromatic π-π stacking between the fluorobenzene and bromobenzene rings [centroid-centroid separation = 3.720 (2)Å and interplanar angle = 2.6 (2)°] is also observed.

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