<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Authors of publication
Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section B
Year of publication
2008
Journal volume
64
Journal issue
5
Pages of publication
596 - 609
a
5.907 ± 0.002 Å
b
10.398 ± 0.003 Å
c
10.801 ± 0.002 Å
α
110.86 ± 0.03°
β
94.19 ± 0.02°
γ
96 ± 0.03°
Cell volume
612.2 ± 0.3 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
5
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0552
Residual factor for significantly intense reflections
0.0394
Weighted residual factors for significantly intense reflections
0.0907
Weighted residual factors for all reflections included in the refinement
0.099
Goodness-of-fit parameter for all reflections included in the refinement
