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Theoretical and Experimental Study on 3-Phenyl-5-Phenylazo-3H-[1,3,4] Thiadiazole-2-Thione

✍ Scribed by Fangfang Jian; Pusu Zhao; Yuxia Hou; Lude Lu

Publisher
Springer
Year
2005
Tongue
English
Weight
385 KB
Volume
16
Category
Article
ISSN
1040-0400

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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