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Information card for entry 8106581
Preview
| Coordinates | 8106581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 Cl N O3 |
|---|---|
| Calculated formula | C10 H10 Cl N O3 |
| Title of publication | Crystal structure of methyl 2-acetamido-5-chlorbenzoate, C10H10ClNO3 |
| Authors of publication | Zhao, Chun-Shen; Wu, Ming-Yuan; Li, Fei; Liu, Li; Le, Yi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 493 - 494 |
| a | 16.124 ± 0.005 Å |
| b | 19.588 ± 0.005 Å |
| c | 6.8155 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2152.6 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280587 (current) | 2023-01-25 | cif/ Adding structures of 8106581 via cif-deposit CGI script. |
8106581.cif |
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Users of the data should acknowledge the original authors of the
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