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Information card for entry 8106570
Preview
| Coordinates | 8106570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H12 N2 O3 |
|---|---|
| Calculated formula | C11 H12 N2 O3 |
| Title of publication | Crystal structure of 5-nitro-2-(pyrrolidin-1-yl)benzaldehyde, C11H12N2O3 |
| Authors of publication | Ngouan, Aka Joseph; Mansilla-Koblavi, Frédérica; Timotou, Adeyole; Adjou, Ané; Tenon, Jules Abodou |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 463 - 464 |
| a | 8.1726 ± 0.0002 Å |
| b | 7.1419 ± 0.0002 Å |
| c | 18.4875 ± 0.0006 Å |
| α | 90° |
| β | 100.376 ± 0.001° |
| γ | 90° |
| Cell volume | 1061.43 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.062 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280575 (current) | 2023-01-25 | cif/ Adding structures of 8106570 via cif-deposit CGI script. |
8106570.cif |
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Users of the data should acknowledge the original authors of the
structural data.