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

doi:10.1107/S1600536812051380

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

Chemistry

University of Sargodha
Government College University Lahore
Government College University

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

13 Downloads (Pure)

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 language	English
Pages (from-to)	o164-o164
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	69
Issue number	2
Early online date	4 Jan 2013
DOIs	https://doi.org/10.1107/S1600536812051380
Publication status	Published - 1 Feb 2013

Bibliographical note

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

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

Access to Document

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6-Bromo-1-methyl-4-[2-(1-phenylethyl- idene)hydrazinylidene]-3,4-dihydro-1 H - 2 k 6 ,1-benzothiazine-2,2-dione
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Cite this

@article{8eb16eaf855c47a98a1e4ab0d55f767c,

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\}",

note = "Acknowledgements MS acknowledges the support of HEC Pakistan for the PhD fellowship.",

year = "2013",

month = feb,

day = "1",

doi = "10.1107/S1600536812051380",

language = "English",

volume = "69",

pages = "o164--o164",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "2",

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TY - JOUR

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

Y1 - 2013/2/1

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

UR - https://www.scopus.com/pages/publications/84873342981

U2 - 10.1107/S1600536812051380

DO - 10.1107/S1600536812051380

M3 - Article

AN - SCOPUS:84873342981

SN - 1600-5368

VL - 69

SP - o164-o164

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -