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Information card for entry 8107032
Preview
| Coordinates | 8107032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 N2 O3 S |
|---|---|
| Calculated formula | C11 H14 N2 O3 S |
| SMILES | S(=O)(=O)(N)c1ccc(N/C(C)=C\C(=O)C)cc1 |
| Title of publication | Crystal structure of (Z)-4-(4-oxopent-2-en-2-ylamino)benzenesulfonamide, C11H14N2O3S |
| Authors of publication | Ghorab, Mostafa M.; Alsaid, Mansour S.; Ghabbour, Hazem A.; Al-Mishari, Abdullah A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 867 - 869 |
| a | 10.1973 ± 0.0003 Å |
| b | 9.9487 ± 0.0004 Å |
| c | 23.1332 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2346.86 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282386 (current) | 2023-04-05 | cif/ Adding structures of 8107032 via cif-deposit CGI script. |
8107032.cif |
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Users of the data should acknowledge the original authors of the
structural data.