Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate
Authors of publication
Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section C
Year of publication
2017
Journal volume
73
Journal issue
11
Pages of publication
862 - 868
a
6.7335 ± 0.0003 Å
b
7.6307 ± 0.0004 Å
c
25.0638 ± 0.001 Å
α
90°
β
93.928 ± 0.004°
γ
90°
Cell volume
1284.79 ± 0.1 Å3
Cell temperature
173 ± 2 K
Ambient diffraction temperature
173 ± 2 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.0715
Residual factor for significantly intense reflections
0.0474
Weighted residual factors for significantly intense reflections
0.1063
Weighted residual factors for all reflections included in the refinement
0.1193
Goodness-of-fit parameter for all reflections included in the refinement
