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

✍ Scribed by Liu, Hong ;Zhang, You-Ming ;Lin, Qi ;Wei, Tai-Bao ;Lu, Tong-Bu

Publisher: International Union of Crystallography
Year: 2006
Tongue: English
Weight: 340 KB
Volume: 62
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536806022070

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✦ Synopsis

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.

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In the title compound, C 16 H 15 N 3 OS, molecules form inversionrelated dimers via N-HÁ Á ÁS hydrogen bonds. The structure is further stabilized by intermolecularstacking interactions down the a axis.

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Single-crystal X-ray study T = 294 K Mean (C-C) = 0.003 A R factor = 0.043 wR factor = 0.113 Data-to-parameter ratio = 15.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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View of (I) showing 50% probability displacement ellipsoids and the atom-numbering scheme.

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

✦ Synopsis

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