N-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methyl-N′-(2,3,4-trifluorophenyl)urea
✍ Scribed by Chen, Sheng-Chun ;He, Ming-Yang ;Zhu, Hong-jun ;Chen, Qun
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 265 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C 13 H 12 F 3 N 5 O 2 , intramolecular N-HÁ Á ÁF, N-HÁ Á ÁN, C-HÁ Á ÁO and C-HÁ Á ÁN hydrogen bonds, andstacking interactions generate a columnar structure along the a axis.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 296 K Mean (C-C) = 0.004 A Disorder in main residue R factor = 0.065 wR factor = 0.175 Data-to-parameter ratio = 16.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The structure of the title compound, C 18 H 14 F 4 N 2 O 2 S, consists of molecules that pack in a linear hydrogen-bonded chain along the c axis. This hydrogen-bonding arrangement involves the hydroxy group and one of the sulfonyl O atoms.
In the title molecule, C 19 H 9 Cl 2 F 3 N 4 O 2 , all bond lengths and angles are normal. The dihedral angle between the pyrazole and attached benzene rings is 77.5 (2) . The crystal packing is mainly stabilized by van der Waals forces.