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3-(2-Bromo-5-methoxy­phen­yl)-5-methyl-1-(4-phenyl-1,3-thia­zol-2-yl)-1H-1,2,4-triazole

✍ Scribed by Yathirajan, H. S. ;Vijaya Raj, K. K. ;Narayana, B. ;Sarojini, B. K. ;Bolte, Michael

Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
128 KB
Volume
62
Category
Article
ISSN
1600-5368

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The title compound, C 17 H 12 ClN 5 S, has been synthesized as a potent anticancer agent. The dihedral angle between the thiazole and triazole rings is 85.9 (2) . There are intermolecular N-HÁ Á ÁN and C-HÁ Á ÁCl interactions in the crystal structure.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.040 wR factor = 0.116 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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In the title compound, C 16 H 13 Cl 3 N 6 O 3 S, the substituted triazole ring is bound via a methylene bridge to a chlorothiazole unit. There is evidence for significant electron delocalization in the triazolyl system. Both intra-and intermolecular hydrogen bonds are found in the structure.

5-{4-(4-Methoxy­phen­yl)-1H-1,2,3-triazo
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In the title compound, C 12 H 9 N 5 OS, molecules are linked into chains along the b axis by N-HÁ Á ÁN hydrogen bonds. The packing is further stabilized by C-HÁ Á Á andinteracions.