Three hexahydropyridopyrimidine-spiro-cyclohexanetriones: supramolecular structures generated by O—H···O, N—H···O, C—H···O and C—H···π hydrogen bonds, and π‒π stacking interactions
Authors of publication
Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Cruz, Silvia; Quiroga, Jairo; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section C
Year of publication
2004
Journal volume
60
Journal issue
6
Pages of publication
o438 - o443
a
7.899 ± 0.0003 Å
b
10.0386 ± 0.0003 Å
c
10.05 ± 0.0003 Å
α
74.938 ± 0.002°
β
84.271 ± 0.002°
γ
81.842 ± 0.002°
Cell volume
760.1 ± 0.04 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
0.0582
Residual factor for significantly intense reflections
0.0457
Weighted residual factors for significantly intense reflections
0.1179
Weighted residual factors for all reflections included in the refinement
0.1253
Goodness-of-fit parameter for all reflections included in the refinement