10-(4-Chlorophenyl)-7-methyl-5,6-dihydrobenzo[<i>h</i>]pyrazolo[5,1-<i>b</i>]quinazoline and 2-(4-chlorophenyl)-5-methyl-6,7-dihydrobenzo[<i>h</i>]pyrazolo[1,5-<i>a</i>]quinazoline: isomeric molecules linked into hydrogen-bonded dimers or π-stacked chains
Authors of publication
Low, John N.; Cobo, Justo; Quiroga, Jaime; Portilla, Jaime; Glidewell, Christopher
Journal of publication
Acta Crystallographica Section C
Year of publication
2004
Journal volume
60
Journal issue
8
Pages of publication
o604 - o607
a
7.0098 ± 0.0003 Å
b
15.0306 ± 0.0007 Å
c
17.006 ± 0.0008 Å
α
111.492 ± 0.002°
β
101.406 ± 0.003°
γ
97.981 ± 0.003°
Cell volume
1589.81 ± 0.13 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 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
0.1358
Residual factor for significantly intense reflections
0.0605
Weighted residual factors for significantly intense reflections
0.1264
Weighted residual factors for all reflections included in the refinement
0.152
Goodness-of-fit parameter for all reflections included in the refinement
