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CIF Information Card
Information card for 1100989
1100988 << 1100989 >> 1100990Preview
|
Coordinates |
1100989.cif |
Structure parameters
| Common name | n-ethylurea |
| Formula | - C3 H8 N2 O - |
| Calculated formula | - C3 H8 N2 O - |
| Authors of publication | Masao Hashimoto; Fukue Tajima; Kazuo Eda; Kimiaki Yamamura; Tadashi Okazaki |
| Journal of publication | Journal of Molecular Structure |
| a | 8.315 ± 0.007 Å |
| b | 7.046 ± 0.006 Å |
| c | 9.099 ± 0.008 Å |
| α | 90° |
| β | 107.483 ± 0.017° |
| γ | 90° |
| Cell volume | 508.4 ± 0.8 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1562 |
| Residual factor for observed reflections | 0.0856 |
| Weighted residual factors for the observed reflections | 0.204 |
| Weighted residual factors for all reflections included in the refinement | 0.2321 |
| Goodness-of-fit parameter for observed reflections | 0.942 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |