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Information card for entry 1550130
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| Coordinates | 1550130.cif |
|---|---|
| Structure factors | 1550130.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 2-Amino-5-chlorobenzophenone |
|---|---|
| Chemical name | 2-Benzoyl-4-chloroaniline |
| Formula | C13 H10 Cl N O |
| Calculated formula | C13 H10 Cl N O |
| SMILES | Clc1cc(c(N)cc1)C(=O)c1ccccc1 |
| Title of publication | 2-Amino-5-chlorobenzophenone |
| Authors of publication | Javed, Saleem; Faizi, Md. Serajul Haque; Nazia, Siddiqui; Iskenderov, Turganbay |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | x181444 |
| a | 9.7335 ± 0.0007 Å |
| b | 10.6473 ± 0.0007 Å |
| c | 24.7554 ± 0.0017 Å |
| α | 87.443 ± 0.002° |
| β | 84.272 ± 0.002° |
| γ | 62.978 ± 0.002° |
| Cell volume | 2274.1 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 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 | 0.2229 |
| Residual factor for significantly intense reflections | 0.0799 |
| Weighted residual factors for significantly intense reflections | 0.1813 |
| Weighted residual factors for all reflections included in the refinement | 0.2252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1550130.cif 1550130.hkl |
| 211687 | 2018-10-27 | cif/ hkl/ Adding structures of 1550130 via cif-deposit CGI script. |
1550130.cif 1550130.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.