Information card for entry 2201157
| Chemical name |
4-chloro-1,1-diphenyl-3-(1-pyrrolyl)-2-azabuta-1,3-diene |
| Formula |
C19 H15 Cl N2 |
| Calculated formula |
C19 H15 Cl N2 |
| SMILES |
Cl/C=C(\N=C(c1ccccc1)c1ccccc1)n1cccc1 |
| Title of publication |
4-Chloro-1,1-diphenyl-3-(1-pyrrolyl)-2-azabuta-1,3-diene |
| Authors of publication |
Jacquot-Rousseau, Sandrine; Schmitt, Gérard; Laude, Bernard; Kubicki, Marek M.; Delarue, Patrice |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2002 |
| Journal volume |
58 |
| Journal issue |
4 |
| Pages of publication |
o364 - o365 |
| a |
9.91 ± 0.001 Å |
| b |
10.411 ± 0.001 Å |
| c |
16.401 ± 0.001 Å |
| α |
89.88 ± 0.01° |
| β |
73.19 ± 0.01° |
| γ |
88.89 ± 0.01° |
| Cell volume |
1619.5 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 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 |
0.0841 |
| Residual factor for significantly intense reflections |
0.0402 |
| Weighted residual factors for all reflections |
0.1189 |
| Weighted residual factors for all reflections included in the refinement |
0.0986 |
| Goodness-of-fit parameter for all reflections |
1.021 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.067 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2201157.html
