Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2

Author(s): Željko K. Jaćimović, Sladjana B. Novaković, Goran A. Bogdanović, Milica Kosović, Eugen Libowitzky, Gerald Giester
Abstract: C7H7F3N2O2, monoclinic, P21/m (no. 11), a=6.8088(8) Å, b=6.7699(9) Å, c=9.9351(12) Å, ß=105.416(3)°, V =441.48(9) Å3, Z =2, Rgt(F)=0.0398, wRref(F2)=0.1192, T =200(2) K. CCDC no.: 2007110. The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.
Organisation(s): Department of Mineralogy and Crystallography
External organisation(s): University of Montenegro, University of Belgrade
Journal: Zeitschrift für Kristallographie - New Crystal Structures
Volume: 235
Pages: 1189-1190
No. of pages: 2
ISSN: 1433-7266
DOI: https://doi.org/10.1515/ncrs-2020-0242
Publication date: 2020
Peer reviewed: Yes
Austrian Fields of Science 2012: 104015 Organic chemistry, 104011 Materials chemistry, 105113 Crystallography
Keywords
ASJC Scopus subject areas: Condensed Matter Physics, General Materials Science, Inorganic Chemistry
Portal url: https://ucrisportal.univie.ac.at/en/publications/ca5b1c07-9c50-4ae5-9ade-2da242392d02

Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C<sub>7</sub>H<sub>7</sub>F<sub>3</sub>N<sub>2</sub>O<sub>2</sub>