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.
5-(3-Methylphenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione
✍ Scribed by Wei, Tai-Bao ;Luo, Rong ;Liu, Hong ;Zhang, You-Ming ;Lu, Tong-Bu
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 234 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
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.
In the title compound, C 11 H 9 N 5 OS, the molecules are linked into chains along the c axis via N-HÁ Á ÁN hydrogen bonds. The packing is further stabilized by C-HÁ Á Á andinteractions.
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.084 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
View of (I) showing 50% probability displacement ellipsoids and the atom-numbering scheme.
In the title compound, C 12 H 9 N 5 OS, molecules are linked into chains along the b axis by N-HÁ Á ÁN hydrogen bonds. The packing is further stabilized by C-HÁ Á Á andinteracions.