6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3, 4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

Muhammad Shafiq*, M. Nawaz Tahir, William T. A. Harrison, Iftikhar Hussain Bukhari, Islam Ullah Khan

*Corresponding author for this work

Research output: Contribution to journalArticle

1 Citation (Scopus)
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Abstract

In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N - N=C torsion angle is 167.7 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C - H⋯O interactions link the molecules into C(10) [010] chains. A weak C - H⋯π interaction is also observed.

Original languageEnglish
Pages (from-to)o164-o164
Number of pages1
JournalActa Crystallographica Section E: Structure Reports Online
Volume69
Issue number2
Early online date4 Jan 2013
DOIs
Publication statusPublished - 1 Feb 2013

Fingerprint

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

Keywords

  • data-to-parameter ratio = 14.7
  • mean σ(C-C) = 0.004 Å
  • R factor = 0.037
  • single-crystal X-ray study
  • T = 296 K
  • wR factor = 0.082

ASJC Scopus subject areas

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

Cite this

6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3, 4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione. / Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Bukhari, Iftikhar Hussain; Khan, Islam Ullah.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 69, No. 2, 01.02.2013, p. o164-o164.

Research output: Contribution to journalArticle

Shafiq, Muhammad ; Tahir, M. Nawaz ; Harrison, William T. A. ; Bukhari, Iftikhar Hussain ; Khan, Islam Ullah. / 6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3, 4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione. In: Acta Crystallographica Section E: Structure Reports Online. 2013 ; Vol. 69, No. 2. pp. o164-o164.
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title = "6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3, 4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione",
abstract = "In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N - N=C torsion angle is 167.7 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.805 (3) {\AA} from the mean plane of the other five atoms (r.m.s. deviation = 0.027 {\AA}). In the crystal, C - H⋯O interactions link the molecules into C(10) [010] chains. A weak C - H⋯π interaction is also observed.",
keywords = "data-to-parameter ratio = 14.7, mean σ(C-C) = 0.004 {\AA}, R factor = 0.037, single-crystal X-ray study, T = 296 K, wR factor = 0.082",
author = "Muhammad Shafiq and Tahir, {M. Nawaz} and Harrison, {William T. A.} and Bukhari, {Iftikhar Hussain} and Khan, {Islam Ullah}",
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T1 - 6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3, 4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

AU - Shafiq, Muhammad

AU - Tahir, M. Nawaz

AU - Harrison, William T. A.

AU - Bukhari, Iftikhar Hussain

AU - Khan, Islam Ullah

N1 - Acknowledgements MS acknowledges the support of HEC Pakistan for the PhD fellowship.

PY - 2013/2/1

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N2 - In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N - N=C torsion angle is 167.7 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C - H⋯O interactions link the molecules into C(10) [010] chains. A weak C - H⋯π interaction is also observed.

AB - In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N - N=C torsion angle is 167.7 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C - H⋯O interactions link the molecules into C(10) [010] chains. A weak C - H⋯π interaction is also observed.

KW - data-to-parameter ratio = 14.7

KW - mean σ(C-C) = 0.004 Å

KW - R factor = 0.037

KW - single-crystal X-ray study

KW - T = 296 K

KW - wR factor = 0.082

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JO - Acta Crystallographica Section E: Structure Reports Online

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