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5-(4-n-Butyl­oxy­phenyl)-2-(2-mercaptoethyl)-1,2,4-triazole-3-thione

✍ Scribed by Shi, Hai-Jian ;Li, Yi-Zhi ;Hu, Hong-Wen

Book ID
104482164
Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
242 KB
Volume
60
Category
Article
ISSN
1600-5368

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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.

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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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Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê R factor = 0.036 wR factor = 0.084 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.