Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone
Authors of publication
Pokhodylo, Nazariy T.; Slyvka, Yurii; Goreshnik, Evgeny; Lytvyn, Roman
Journal of publication
Acta Crystallographica Section E Crystallographic Communications
Year of publication
2021
Journal volume
77
Journal issue
11
a
6.7605 ± 0.0006 Å
b
15.065 ± 0.001 Å
c
16.0849 ± 0.0009 Å
α
90°
β
90°
γ
90°
Cell volume
1638.2 ± 0.2 Å3
Cell temperature
150 ± 0.12 K
Ambient diffraction temperature
150.15 K
Number of distinct elements
5
Space group number
19
Hermann-Mauguin space group symbol
P 21 21 21
Hall space group symbol
P 2ac 2ab
Residual factor for all reflections
0.0778
Residual factor for significantly intense reflections
0.0469
Weighted residual factors for significantly intense reflections
0.092
Weighted residual factors for all reflections included in the refinement
0.1088
Goodness-of-fit parameter for all reflections included in the refinement