Information card for entry 2229111
Chemical name |
3-[5-(2,4-Dichlorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-4-hydroxy-2<i>H</i>-chromen-2-one |
Formula |
C24 H16 Cl2 N2 O3 |
Calculated formula |
C24 H16 Cl2 N2 O3 |
SMILES |
Clc1c(C2N(N=C(C3C(=O)Oc4ccccc4C=3O)C2)c2ccccc2)ccc(Cl)c1 |
Title of publication |
3-[5-(2,4-Dichlorophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-4-hydroxy-2<i>H</i>-chromen-2-one |
Authors of publication |
Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
o437 - o438 |
a |
6.2583 ± 0.0002 Å |
b |
11.5136 ± 0.0005 Å |
c |
14.2248 ± 0.0005 Å |
α |
87.242 ± 0.001° |
β |
88.821 ± 0.001° |
γ |
76.181 ± 0.001° |
Cell volume |
994.11 ± 0.06 Å3 |
Cell temperature |
100 ± 1 K |
Ambient diffraction temperature |
100 ± 1 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 |
0.0428 |
Residual factor for significantly intense reflections |
0.0382 |
Weighted residual factors for significantly intense reflections |
0.101 |
Weighted residual factors for all reflections included in the refinement |
0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2229111.html