Work

2,2,2-Trifluoroethyl 5-methyl-1 H -pyrazole-3-carboxylate

Year: 2026

Type: article

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.

Source: IUCrData

DOI: 10.1107/s2414314626000192

Authors: Adriano Bof de Oliveira, Adailton João Bortoluzzi, Alex Fabiani Claro Flores

Institutions: Universidade Federal do Rio Grande, Universidade Federal de Santa Catarina

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $300