Abstract
The asymmetric unit of the title compound, C15H10BrNO4S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benzisothiazole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two molecules. The crystal structure is stabilized by π–π interactions between the benzene rings of the benzisothiazole moieties of one molecule and bromobenzene rings of the other molecule, with distances between the ring centroids of 3.599 (3) and 3.620 (3) Å, respectively. The crystal packing is further consolidated by pairs of weak intermolecular C—H⋯O hydrogen bonds, which form inversion dimers.
Highlights
The asymmetric unit of the title compound, C15H10BrNO4S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å
The crystal packing is further consolidated by pairs of weak intermolecular C—H O hydrogen bonds, which form inversion dimers
We have reported the synthesis and crystal structures of some of the 1,2-benzothiazine derivatives (Maliha et al, 2007; Siddiqui et al, 2007)
Summary
Siddiqui,b Muhammad Akramc and Masood Parvezd a Institute of Chemistry, University of the Punjab, Lahore 54590, Pakistan, Department of Chemistry, University of Sargodha, Sargodha 40100, Pakistan, c Department of Chemistry, Universiti Teknologi Malaysia, 81310 UTM Skudai Johor, Darul Ta’zim, Malaysia, and dDepartment of Chemistry, The University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4 R factor = 0.050; wR factor = 0.105; data-to-parameter ratio = 16.5.
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