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Information card for entry 8104992
Preview
| Coordinates | 8104992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 N6 O4 |
|---|---|
| Calculated formula | C20 H22 N6 O4 |
| Title of publication | The crystal structure of 1,4-bis((1H-benzimidazol-2-yl)methyl)-piperazine-2,5-dione dihydrate, C20H22N6O4 |
| Authors of publication | Jia, Aijun; Gong, Zhihai; Li, Ji |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 173 - 174 |
| a | 11.2208 ± 0.0008 Å |
| b | 6.0358 ± 0.0004 Å |
| c | 14.6702 ± 0.001 Å |
| α | 90° |
| β | 92.565 ± 0.001° |
| γ | 90° |
| Cell volume | 992.57 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0821 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.1726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274205 (current) | 2022-04-01 | cif/ Adding structures of 8104992 via cif-deposit CGI script. |
8104992.cif |
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Users of the data should acknowledge the original authors of the
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