Information card for entry 1545560
Chemical name |
4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one |
Formula |
C17 H16 Cl N5 O3 |
Calculated formula |
C17 H16 Cl N5 O3 |
SMILES |
Clc1c(=O)n(ncc1N1CCOCC1)Cc1nnc(o1)c1ccccc1 |
Title of publication |
4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one |
Authors of publication |
Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen |
Journal of publication |
IUCrData |
Year of publication |
2017 |
Journal volume |
2 |
Journal issue |
3 |
Pages of publication |
x170370 |
a |
4.7931 ± 0.0007 Å |
b |
10.4177 ± 0.0015 Å |
c |
33.685 ± 0.005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1682 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0455 |
Residual factor for significantly intense reflections |
0.0409 |
Weighted residual factors for significantly intense reflections |
0.0934 |
Weighted residual factors for all reflections included in the refinement |
0.0962 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.073 |
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/1545560.html