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4-(4-Chloro­phenyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5(4H)-thione

✍ Scribed by Öztürk, Sema ;Akkurt, Mehmet ;Cansız, Ahmet ;Koparır, Metin ;Şekerci, Mehmet ;Heinemann, Frank W.

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
222 KB
Volume
60
Category
Article
ISSN
1600-5368

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3-Benzyl-4-(4-chloro­phenyl)-1H-1,2,4-tr
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✍ Öztürk, Sema ;Akkurt, Mehmet ;Cansız, Ahmet ;Koparır, Metin ;Şekerci, Mehmet ;He 📂 Article 📅 2004 🏛 International Union of Crystallography 🌐 English ⚖ 228 KB

In the title molecule, C 15 H 12 ClN 3 S, the dihedral angles made by the substituted phenyl and benzyl rings with the triazole ring are 81.39 (10) and 63.59 (10) , respectively. The crystal structure is stabilized by NÐHÁ Á ÁS, CÐHÁ Á ÁCl and CÐHÁ Á Á% interactions.

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Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.084 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The title compound, C 13 H 13 N 5 S, possesses crystallographically imposed mirror symmetry. In the crystal structure, the molecules interact through strong intermolecular N-HÁ Á ÁN hydrogen bonds to form ribbons running parallel to the a axis.

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✍ Xu, Liang-Zhong ;Yu, Guan-Ping ;Xu, Feng-Ling ;Li, Wei-Hua 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 230 KB

In the molecule of the title compound, C 5 H 7 N 7 S, the essentially planar triazole ring and the 4-amino-5-mercapto-1,2,4-triazole moiety make a dihedral angle of 70.97 (5) . In the crystal structure, weak intermolecular N-HÁ Á ÁN and N-HÁ Á ÁS hydrogen bonds stabilize the packing.