Different acid‒base behaviour of a pyrazole and an isoxazole with organic acids: crystal and molecular structures of the salt 3-(4-fluorophenyl)-1<i>H</i>-pyrazolium 2,4,6-trinitrophenolate and of the cocrystal 4-amino-<i>N</i>-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide‒3,5-dinitrobenzoic acid (1/1)
Authors of publication
Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section C
Year of publication
2016
Journal volume
72
Journal issue
8
a
11.8062 ± 0.0007 Å
b
8.0061 ± 0.0004 Å
c
17.6442 ± 0.0012 Å
α
90°
β
107.009 ± 0.007°
γ
90°
Cell volume
1594.81 ± 0.17 Å3
Cell temperature
298 ± 2 K
Ambient diffraction temperature
298 ± 2 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.0666
Residual factor for significantly intense reflections
0.0482
Weighted residual factors for significantly intense reflections
0.1189
Weighted residual factors for all reflections included in the refinement
0.1326
Goodness-of-fit parameter for all reflections included in the refinement
