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Information card for entry 2241024
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| Coordinates | 2241024.cif |
|---|---|
| Structure factors | 2241024.hkl |
| Original IUCr paper | HTML |
| Common name | 3-chloro-N-(2-nitrophenyl)benzamide |
|---|---|
| Chemical name | 3-Chloro-<i>N</i>-(2-nitrophenyl)benzamide |
| Formula | C13 H9 Cl N2 O3 |
| Calculated formula | C13 H9 Cl N2 O3 |
| SMILES | Clc1cc(ccc1)C(=O)Nc1c(N(=O)=O)cccc1 |
| Title of publication | Crystal structure of 3-chloro-<i>N</i>-(2-nitrophenyl)benzamide |
| Authors of publication | Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o674 |
| a | 12.63 ± 0.0009 Å |
| b | 14.1462 ± 0.0012 Å |
| c | 6.7797 ± 0.0006 Å |
| α | 90° |
| β | 105.475 ± 0.007° |
| γ | 90° |
| Cell volume | 1167.39 ± 0.17 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1075 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241024.cif 2241024.hkl |
| 153586 | 2015-08-22 | cif/ hkl/ Adding structures of 2241024 via cif-deposit CGI script. |
2241024.cif 2241024.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.