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Information card for entry 8107586
Preview
| Coordinates | 8107586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 Cl N O |
|---|---|
| Calculated formula | C13 H10 Cl N O |
| Title of publication | Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO |
| Authors of publication | Du, Mo; Xu, Xiaona; Tong, Hongjuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 871 - 873 |
| a | 4.3011 ± 0.0007 Å |
| b | 11.2236 ± 0.0019 Å |
| c | 11.776 ± 0.002 Å |
| α | 90° |
| β | 94.281 ± 0.005° |
| γ | 90° |
| Cell volume | 566.89 ± 0.16 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0711 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286677 (current) | 2023-10-05 | cif/ Adding structures of 8107586 via cif-deposit CGI script. |
8107586.cif |
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Users of the data should acknowledge the original authors of the
structural data.