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Information card for entry 2200554
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| Coordinates | 2200554.cif |
|---|---|
| Structure factors | 2200554.hkl |
| Original IUCr paper | HTML |
| Common name | N-(3-Pyridyl)urea |
|---|---|
| Chemical name | N-(3-Pyridyl)urea |
| Formula | C6 H7 N3 O |
| Calculated formula | C6 H7 N3 O |
| SMILES | O=C(Nc1cnccc1)N |
| Title of publication | <i>N</i>-(3-Pyridyl)urea |
| Authors of publication | Sumod George; Ashwini Nangia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | o719 - o720 |
| a | 4.8558 ± 0.001 Å |
| b | 8.1621 ± 0.0016 Å |
| c | 15.919 ± 0.003 Å |
| α | 90° |
| β | 92.16 ± 0.03° |
| γ | 90° |
| Cell volume | 630.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| 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 | Yes |
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