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CIF Information Card
Information card for 2015241
2015240 << 2015241 >> 2015242Preview
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Coordinates |
2015241.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 4-[N-(2-Chloro-6-methylphenyl)ureido]pyridinium chloride |
| Formula | - C13 H13 Cl2 N3 O - |
| Calculated formula | - C13 H13 Cl2 N3 O - |
| Title of publication | <i>N</i>-Phenyl-N'-pyridylureas: stereochemical basis for anticonvulsant activity |
| Authors of publication | Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o190 - o192 |
| a | 8.022 ± 0.003 Å |
| b | 13.193 ± 0.004 Å |
| c | 14.893 ± 0.004 Å |
| α | 69.06 ± 0.03° |
| β | 81.29 ± 0.02° |
| γ | 80.6 ± 0.03° |
| Cell volume | 1444.9 ± 0.9 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for observed reflections | 0.0428 |
| Weighted residual factors for the observed reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for observed reflections | 0.941 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |