Molecular conformation and supramolecular aggregation in two fused pyrazoles: π-stacked <i>R</i>_<b>2</b>^<b>2</b>(6) dimers in 2,8,8-trimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-one, and sheets of alternating <i>R</i>_2^2(12) and <i>R</i>_6^6(48) rings in 3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-dione
Authors of publication
Low, John N.; Cobo, Justo; Mera, Jaime; Quiroga, Jairo; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section C
Year of publication
2004
Journal volume
60
Journal issue
4
Pages of publication
o265 - o269
a
5.9856 ± 0.0003 Å
b
18.1464 ± 0.0009 Å
c
10.7139 ± 0.0004 Å
α
90°
β
98.457 ± 0.003°
γ
90°
Cell volume
1151.06 ± 0.09 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
4
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
0.0574
Residual factor for significantly intense reflections
0.0428
Weighted residual factors for significantly intense reflections
0.105
Weighted residual factors for all reflections included in the refinement
0.1138
Goodness-of-fit parameter for all reflections included in the refinement
