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Information card for entry 8104681
Preview
| Coordinates | 8104681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H9 Cl N2 O2 |
|---|---|
| Calculated formula | C7 H9 Cl N2 O2 |
| Title of publication | The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C7H9N2O2Cl |
| Authors of publication | Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1115 - 1116 |
| a | 4.6321 ± 0.0003 Å |
| b | 7.5132 ± 0.0004 Å |
| c | 24.7605 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 861.71 ± 0.09 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193.15 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273524 (current) | 2022-03-08 | cif/ Adding structures of 8104681 via cif-deposit CGI script. |
8104681.cif |
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Users of the data should acknowledge the original authors of the
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