1-(3-Methylphenyl)-3-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}urea
✍ Scribed by Tan, Zhi-Wei ;Tan, Xiao-Hong ;Song, Xin-Jian
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 795 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The molecule of the title compound, C 17 H 13 F 3 N 4 OS, assumes a planar conformation except for the F atoms and methyl H atoms. Intermolecular N-HÁ Á ÁN hydrogen bonding between the urea and thiadiazole groups links neighbouring molecules into centrosymmetric supramolecular R 2 2 (8) dimers. The F atoms are disordered over two positions with a site occupancy ratio of 2:1.
Related literature
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 292 K Mean (C-C) = 0.004 A Disorder in main residue R factor = 0.043 wR factor = 0.115 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 18 H 12 F 3 N 3 OS 2 , was synthesized by the reaction of [(Z)-1-phenylmethylidene]{5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}amine and mercaptoacetic acid. In the structure there are intramolecular C-HÁ Á ÁS and C-HÁ Á ÁN and intermolecular C-HÁ Á ÁN hydrogen bonds.