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3,3′-Diisopropyl-4,4′-(hexane-1,6-di­yl)bis­[1H-1,2,4-triazol-5(4H)-one] dihydrate

✍ Scribed by Köysal, Yavuz ;Işık, Şamil ;Sancak, Kemal ;Ünver, Yasemin


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

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Bis­[4-phenyl-5-(1H-1,2,4-triazol-3-yl)-
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The title compound, C 20 H 14 N 12 S 2 , was synthesized by the reaction of 3-hydrazino-1H-1,2,4-triazole with phenyl isocyanate in benzene and by ring closure in an alkaline medium. Intermolecular N-HÁ Á ÁN hydrogen bonds are observed and these form a five-membered ring.

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In the title compound, C 12 H 12 N 6 O 2 S, the thiophene ring is disordered equally over two positions, corresponding to rotation of approximately 180 about the C-C single bond. The central triazole ring has substituents at the 1-, 3-, 4-and 5positions. Intermolecular C-HÁ Á ÁN and C-HÁ Á ÁO intera