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Structure of 4-amino-5-phenyl-4H-1,2,4-triazole-3-thione

✍ Scribed by Ng, S. W.

Book ID
114509440
Publisher
International Union of Crystallography
Year
1992
Tongue
English
Weight
200 KB
Volume
48
Category
Article
ISSN
0108-2701

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

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The title molecule, C 14 H 11 N 3 OS, is non-planar. The phenyl and hydroxyphenyl rings form dihedral angles of 69.08 (9) and 24.57 (9) , respectively, with the ®ve-membered 2,4-dihydro-1,2,4-triazole ring. The molecules form centrosymmetric dimers through NÐHÁ Á ÁS hydrogen bonds, with an NÁ Á ÁS d

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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.