<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
7.0568 ± 0.0007 Å
b
8.211 ± 0.002 Å
c
10.565 ± 0.003 Å
α
84.59 ± 0.016°
β
82.363 ± 0.014°
γ
78.687 ± 0.014°
Cell volume
593.5 ± 0.2 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
0.107
Residual factor for significantly intense reflections
0.0523
Weighted residual factors for significantly intense reflections
0.1134
Weighted residual factors for all reflections included in the refinement
0.1443
Goodness-of-fit parameter for all reflections included in the refinement
