Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions
Authors of publication
Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section C
Year of publication
2013
Journal volume
69
Journal issue
2
Pages of publication
162 - 171
a
7.399 ± 0.0005 Å
b
9.609 ± 0.003 Å
c
12.449 ± 0.003 Å
α
73.3 ± 0.02°
β
82.68 ± 0.014°
γ
72.693 ± 0.013°
Cell volume
808.5 ± 0.3 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0786
Residual factor for significantly intense reflections
0.0452
Weighted residual factors for significantly intense reflections
0.103
Weighted residual factors for all reflections included in the refinement
0.1201
Goodness-of-fit parameter for all reflections included in the refinement