2,2,2-Trifluoroethyl 5-methyl-1 H -pyrazole-3-carboxylate
Abstract
The title compound, C 7 H 7 F 3 N 2 O 2 , which exhibits disorder over the terminal trifluoromethyl and methyl entities, is close to planar with the r.m.s. deviation for the non-H/-F atoms being 0.038 Å. In the crystal, the molecules are linked by N—H...N interactions into a [010] chain with a C 1 1 (3) motif. The Hirshfeld surface fingerprint plot analysis indicates that the major contributions for the crystal packing are from H...F/F...H (31.2%), H...H (15.9%), H...O/O...H (15.3%) and H...N/N...H (10.1%) contacts.
Fields of Study & Subjects
Crystal structures of chemical compounds
Crystallography and molecular interactions
Structural and Chemical Analysis of Organic and Inorganic Compounds
Publication details
- Journal / source
- IUCrData
- Volume
- 11
- Issue
- 1
- Pages
- x260019–x260019
- Publication date
- 13 January 2026
- Language
- EN