Structure of 3-benzyl-4-hydroxy-5-phenyl-1,2,4-triazole
✍ Scribed by Bel Hadj Amor, A. ;Kallel, A. ;Paulus, H.
- Book ID
- 114505842
- Publisher
- International Union of Crystallography
- Year
- 1989
- Tongue
- English
- Weight
- 419 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0108-2701
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The title compound, C 15 H 13 N 3 S, was prepared by the reaction of 1-(2-chloroethyl)benzene with hydrazine and phenyl isothiocyanate. Packing is stabilized by N-HÁ Á ÁS intermolecular hydrogen bonds and C-HÁ Á Á interactions.
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.039 wR factor = 0.096 Data-to-parameter ratio = 17.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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.
The title compound, C 24 H 24 N 4 O 3 , contains three aromatic rings and a triazole ring which are not coplanar. In the crystal structure the molecules are linked by C-