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3-(2-Thienyl­methyl)-4,4′-bi-1H-1,2,4-triazol-5(4H)-one

✍ Scribed by Sancak, Kemal ;Ustabaş, Reşat ;Çoruh, Ufuk ;Er, Mustafa ;Ünver, Yasemin ;Yavuz, Metin


Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
298 KB
Volume
61
Category
Article
ISSN
1600-5368

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✦ Synopsis


The title compound, C 9 H 8 N 6 OS, crystallizes with two molecules in the asymmetric unit. In the crystal structure, intermolecular N-HÁ Á ÁN hydrogen bonds form a threedimensional network.


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1-(Acetonyl)-3-(2-thienylmethyl)-4-(4H-1
✍ Ustabaş, Reşat ;Çoruh, Ufuk ;Sancak, Kemal ;Demirkan, Esra ;Vázquez-López, Ezequ 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 540 KB

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

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✍ Yang, Jian-Guo ;Pan, Fu-You 📂 Article 📅 2004 🏛 International Union of Crystallography 🌐 English ⚖ 394 KB

Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.048 wR factor = 0.128 Data-to-parameter ratio = 13.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.