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Information card for entry 2022634
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| Coordinates | 2022634.cif |
|---|---|
| Structure factors | 2022634.hkl |
| Original IUCr paper | HTML |
| Formula | C10 H12 Cl N O |
|---|---|
| Calculated formula | C10 H12 Cl N O |
| Title of publication | Structure of 2-chloro-N-(p-tolyl)propanamide |
| Authors of publication | Jones, Roderick C.; Twamley, Brendan |
| Journal of publication | Acta Crystallographica, Section E: Crystallographic Communications |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| Pages of publication | 1584 - 1588 |
| a | 9.5053 ± 0.0006 Å |
| b | 9.6793 ± 0.0005 Å |
| c | 21.838 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2009.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276694 (current) | 2022-07-07 | cif/ hkl/ Adding structures of 2022634 via cif-deposit CGI script. |
2022634.cif 2022634.hkl |
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Users of the data should acknowledge the original authors of the
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