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3-(1H-1,2,4-Triazol-3-yl­sulfanyl­methyl)­benzoic acid

✍ Scribed by Han, Lei ;Zhou, You-Fu ;Wang, Rui-Hu ;Hong, Mao-Chun

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
193 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 10 H 9 N 3 O 2 S, crystallizes in the orthorhombic non-centrosymmetric space group P2 1 2 1 2 1 . The molecules are linked into a three-dimensional network through OÐHÁ Á ÁN and NÐHÁ Á ÁO hydrogen bonds and weak SÁ Á ÁO interactions.

📜 SIMILAR VOLUMES

5-Amino-1-(1,5-di­methyl-1H-pyrazol-4-yl
5-Amino-1-(1,5-di­methyl-1H-pyrazol-4-yl­carbonyl)-3-methyl­sulfanyl-1H-1,2,4-triazole
✍ Wen, Li-Rong ;Li, Ming ;Ke, Zi-Qin ;Wang, Xiao 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 133 KB

In the title compound, C 9 H 12 N 6 OS, the pyrazole and triazole rings are nearly coplanar, forming a dihedral angle of 6.50 (9) . There are N-HÁ Á ÁN intermolecular hydrogen-bond interactions in the crystal structure, providing stabilization.

3-(2-Ethoxy­phen­yl)-5-methyl­sulfanyl-4
3-(2-Ethoxy­phen­yl)-5-methyl­sulfanyl-4H-1,2,4-triazol-4-amine monohydrate
✍ Ding, Jin-Chang ;Xu, Rong ;Wu, Hua-Yue ;Xiao, Hong-Ping ;Huang, Xiao-Bo 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 249 KB

In the title compound, C 11 H 14 N 4 OSÁH 2 O, the dihedral angle between the ethoxybenzene group and the triazole ring is 48.20 (8) . Intermolecular N-HÁ Á ÁO and O-HÁ Á ÁN hydrogen bonds involving the water molecules form a chain along the a axis.

3-Anilino-1-(2-fluoro-5-methyl­phenyl)-3
3-Anilino-1-(2-fluoro-5-methyl­phenyl)-3-(methyl­sulfanyl)-2-(1H-1,2,4-triazol-1-yl)­prop-2-en-1-one
✍ Xu, Liangzhong ;Zhu, Chongyi ;Si, Guodong ;Qin, Yongqi ;Li, Kai 📂 Article 📅 2004 🏛 International Union of Crystallography 🌐 English ⚖ 180 KB

Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.042 wR factor = 0.125 Data-to-parameter ratio = 15.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

1-(4-Methyl­phen­yl)-3-(1H-1,2,4-triazol
1-(4-Methyl­phen­yl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one
✍ Wan, Jun ;Li, Chun-Li ;Li, Xue-Mei ;Wang, Shi-Ying ;Zhang, Shu-Sheng 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 100 KB

In the title compound, C 12 H 13 N 3 O, the benzene and triazole rings make a dihedral angle of 59.6 (2) . The crystal packing is stabilized by weak C-HÁ Á Á interactions and van der Waals forces.