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3-Benzyl-4-(4-methyl­phenyl)-1H-1,2,4-triazole-5(4H)-thione

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


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

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3-Benzyl-4-phenyl-1H-1,2,4-triazole-5(4H
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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.

3-(4-Methyl­phenoxy­meth­yl)-4-phenyl-1H
✍ Liu, Hong ;Zhang, You-Ming ;Lin, Qi ;Wei, Tai-Bao ;Lu, Tong-Bu 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 340 KB

In the crystal structure of the title compound, C~16~H~15~N~3~OS, intermolecular N—H...S hydrogen bonds link the molecules together as characteristic dimers, which are further stabilized by weak intermolecular benzene-ring π–π interactions along the __a__-axis direction.