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Information card for entry 8107591
Preview
| Coordinates | 8107591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 N4 O4 |
|---|---|
| Calculated formula | C6 H12 N4 O4 |
| SMILES | O=C(NCN(N(=O)=O)CNC(=O)C)C |
| Title of publication | The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4 |
| Authors of publication | Cong, Chen; Ruxin, Zhang; Shiyu, Li; Lizhen, Chen; Jianlong, Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 885 - 886 |
| a | 9.8171 ± 0.0004 Å |
| b | 16.1119 ± 0.0006 Å |
| c | 6.9125 ± 0.0005 Å |
| α | 90° |
| β | 121.443 ± 0.001° |
| γ | 90° |
| Cell volume | 932.81 ± 0.09 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286872 (current) | 2023-10-10 | cif/ Adding structures of 8107591 via cif-deposit CGI script. |
8107591.cif |
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Users of the data should acknowledge the original authors of the
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