(4Z)-1-Methyl-4-[(2E)-2-(4-methylbenzyl-idene)hydrazin-1-ylidene]-3, 4-dihydro-1 H-2λ6,1-benzothiazine-2,2-dione

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

*Corresponding author for this work

Research output: Contribution to journalArticle

Abstract

In the title compound, C17H17N3O2S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N - N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.823 (9) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012 Å). In the crystal, C - H···O interactions link the molecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic φ-φ stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) Å and interplanar angle = 6.3 (4)°].

Original languageEnglish
Article numbero2971
Number of pages8
JournalActa Crystallographica Section E: Structure Reports Online
VolumeE68
Early online dateOct 2012
DOIs
Publication statusPublished - Oct 2012

Fingerprint

Dione
Thiazines
Atoms
centroids
rings
Toluene
Dihedral angle
Benzene
thiazine (trademark)
Torsional stress
Conformations
Crystals
Molecules
torsion
atoms
toluene
dihedral angle
envelopes
benzene
deviation

ASJC Scopus subject areas

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

Cite this

@article{7207e1fb3e9947b3a61d57149ac21b47,
title = "(4Z)-1-Methyl-4-[(2E)-2-(4-methylbenzyl-idene)hydrazin-1-ylidene]-3, 4-dihydro-1 H-2λ6,1-benzothiazine-2,2-dione",
abstract = "In the title compound, C17H17N3O2S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N - N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.823 (9) {\AA} from the mean plane of the other five atoms (r.m.s. deviation = 0.012 {\AA}). In the crystal, C - H···O interactions link the molecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic φ-φ stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) {\AA} and interplanar angle = 6.3 (4)°].",
author = "Muhammad Shafiq and Harrison, {William Thomas Alexander} and Khan, {Islam Ullah} and Ejaz",
year = "2012",
month = "10",
doi = "10.1107/S1600536812039529",
language = "English",
volume = "E68",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - (4Z)-1-Methyl-4-[(2E)-2-(4-methylbenzyl-idene)hydrazin-1-ylidene]-3, 4-dihydro-1 H-2λ6,1-benzothiazine-2,2-dione

AU - Shafiq, Muhammad

AU - Harrison, William Thomas Alexander

AU - Khan, Islam Ullah

AU - Ejaz, null

PY - 2012/10

Y1 - 2012/10

N2 - In the title compound, C17H17N3O2S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N - N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.823 (9) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012 Å). In the crystal, C - H···O interactions link the molecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic φ-φ stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) Å and interplanar angle = 6.3 (4)°].

AB - In the title compound, C17H17N3O2S, the dihedral angle between the aromatic rings is 6.3 (5)° and the C=N - N=C group is statistically planar [torsion angle = 179.8 (8)°]. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.823 (9) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.012 Å). In the crystal, C - H···O interactions link the molecules into C(5) chains propagating along [101]. The chains are consolidated by weak aromatic φ-φ stacking between the benzene and toluene rings [centroid-to-centroid separation = 3.826 (5) Å and interplanar angle = 6.3 (4)°].

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U2 - 10.1107/S1600536812039529

DO - 10.1107/S1600536812039529

M3 - Article

VL - E68

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

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