The crystal structure of ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C13H10F3N3O4
Autor*in
Željko K. Jaćimović
Faculty of Metallurgy and Technology, Džordža Vašingtona bb, University of Montenegro
Autor*in
Milica Kosović
Faculty of Metallurgy and Technology, Džordža Vašingtona bb, University of Montenegro
Autor*in
Goran A. Bogdanović
Vinča Institute of Nuclear Sciences, Laboratory of Theoretical Physics and Condensed Matter Physics, University of Belgrade
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Abstract
C13H10F3N3O4, triclinic, P1̅ (no. 2), a = 7.0524(14) Å, b = 7.8044(16) Å, c = 12.954(3) Å, α = 97.93(3)°, β = 96.29(3)°, γ = 100.11(3)°, V = 688.6(3) Å3, Z = 2, Rgt(F) = 0.0478, wRref(F2) = 0.1140, T = 200 K.
CCDC no.:: 1542451
The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.