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Information card for entry 8104601
Preview
| Coordinates | 8104601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 Cl N O2 |
|---|---|
| Calculated formula | C15 H16 Cl N O2 |
| Title of publication | Crystal structure of 2-chloro-3-(isopentylamino)naphthalene-1,4-dione, C 15 H 16 ClNO 2 |
| Authors of publication | Deng, Zu-Shuai; Luo, Peng; Pan, Wei-Gao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1337 - 1339 |
| a | 7.4339 ± 0.0012 Å |
| b | 8.2564 ± 0.0014 Å |
| c | 12.184 ± 0.002 Å |
| α | 108.804 ± 0.006° |
| β | 93.672 ± 0.005° |
| γ | 94.373 ± 0.006° |
| Cell volume | 702.7 ± 0.2 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1719 |
| Weighted residual factors for all reflections included in the refinement | 0.1974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273105 (current) | 2022-02-22 | cif/ Adding structures of 8104601 via cif-deposit CGI script. |
8104601.cif |
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Users of the data should acknowledge the original authors of the
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