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Information card for entry 8107382
Preview
| Coordinates | 8107382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Br Cl N2 O |
|---|---|
| Calculated formula | C18 H18 Br Cl N2 O |
| Title of publication | Crystal structure of 1-(3-bromopropyl)-2-((4-chlorophenoxy)methyl)-4-methyl-1H-benzo[d]imidazole, C18H18BrClN2O |
| Authors of publication | Yu Wen, Ya-Huan; Zhang, Pin; Liu, Bin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 163 - 164 |
| a | 9.0583 ± 0.0004 Å |
| b | 9.2694 ± 0.0004 Å |
| c | 11.1183 ± 0.0004 Å |
| α | 83.112 ± 0.001° |
| β | 72.259 ± 0.001° |
| γ | 73.94 ± 0.001° |
| Cell volume | 853.8 ± 0.06 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284488 (current) | 2023-06-16 | cif/ Adding structures of 8107382 via cif-deposit CGI script. |
8107382.cif |
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Users of the data should acknowledge the original authors of the
structural data.