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CIF Information Card
Information card for 2015375
2015374 << 2015375 >> 2015376Preview
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Coordinates |
2015375.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | sodium isatin-3-semicarbazone-5-sulfonate |
| Chemical name | Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1H-indole-5-sulfonate dihydrate |
| Formula | - C9 H11 N4 Na O7 S - |
| Calculated formula | - C9 H7 N4 Na O7 S - |
| Title of publication | Sodium 2-oxo-3-semicarbazono-2,3-dihydro-1<i>H</i>-indole-5-sulfonate dihydrate |
| Authors of publication | Pelosi, G.; Belicchi Ferrari, M.; Rodríguez-Argüelles, M. C.; Mosquera-Vázquez, S.; Sanmartín, J. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | m241 - m242 |
| a | 7.379 ± 0.003 Å |
| b | 17.139 ± 0.004 Å |
| c | 10.788 ± 0.003 Å |
| α | 90° |
| β | 105.6 ± 0.02° |
| γ | 90° |
| Cell volume | 1314.1 ± 0.7 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1721 |
| Residual factor for observed reflections | 0.0566 |
| Weighted residual factors for the observed reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for observed reflections | 0.897 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |