Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 2 (February 2013)


organic compounds



bq2381 scheme

Acta Cryst. (2013). E69, o165    [ doi:10.1107/S1600536812051513 ]

3-Chloro-1-methyl-4-[2-(3-phenylallylidene)hydrazinylidene]-3,4-dihydro-1H-2[lambda]6,1-benzothiazine-2,2-dione

M. Shafiq, M. N. Tahir, W. T. A. Harrison, I. U. Khan and S. Shafique

Abstract: In the title compound, C18H16ClN3O2S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2 (4)°]. 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 = 0.046 Å). The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thiazine ring plane. In the crystal, inversion dimers linked by pairs of C-H...O interactions generate R22(20) loops and further C-H...O hydrogen bonds link the dimers into (001) sheets. Weak aromatic [pi]-[pi] stacking interactions [centroid-centroid separations = 3.870 (3) and 3.883 (3) Å] are also observed.


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