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Information card for entry 8106934
Preview
| Coordinates | 8106934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Cl N O3 |
|---|---|
| Calculated formula | C14 H12 Cl N O3 |
| Title of publication | Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3 |
| Authors of publication | Su, Hongliang; Guo, Xiaoxiong; Zhou, Lunan; Du, Zhenting |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 545 - 546 |
| a | 7.2044 ± 0.0006 Å |
| b | 24.975 ± 0.002 Å |
| c | 7.8562 ± 0.0008 Å |
| α | 90° |
| β | 115.231 ± 0.001° |
| γ | 90° |
| Cell volume | 1278.7 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0973 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281885 (current) | 2023-03-15 | cif/ Adding structures of 8106934 via cif-deposit CGI script. |
8106934.cif |
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Users of the data should acknowledge the original authors of the
structural data.