3-{[5-(4-Bromo-phen-yl)imidazo[2,1-b][1,3,4]thia-diazol-2-yl]meth-yl}-1,2-benzoxazole

In the title compound, C(18)H(11)BrN(4)OS, the imidazothia-diazole and benzisoxazole rings are individually planar with maximum deviations of 0.025 (3) 0.015 (4) Å, respectively, and are inclined at an angle of 23.51 (7)° with respect to each other. The planes of the imidazothia-diazole and bromo-ph...

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Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2011-01, Vol.67 (Pt 1), p.o154-o154
Main Authors: Banu, Afshan, Ziaulla, Mohamed, Begum, Noor Shahina, Lamani, Ravi S, Khazi, I M
Format: Article
Language:English
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Organic Papers
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Summary:In the title compound, C(18)H(11)BrN(4)OS, the imidazothia-diazole and benzisoxazole rings are individually planar with maximum deviations of 0.025 (3) 0.015 (4) Å, respectively, and are inclined at an angle of 23.51 (7)° with respect to each other. The planes of the imidazothia-diazole and bromo-phenyl rings are inclined at an angle of 27.34 (3)°. In the crystal, inter-molecular C-H⋯N inter-actions result in chains of mol-ecules along the b and c axes. Moreover, C-H⋯O inter-actions result in centrosymmetric head-to-head dimers with R(2) (2)(24) graph-set motifs. The mol-ecular packing is further stabilized by π-π stacking inter-actions between the imidazole rings with a shortest centroid-centroid distance of 3.492 (3) Å. In addition, C-H⋯π inter-actions are observed in the crystal structure.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536810052232