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Information card for entry 2242570
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| Coordinates | 2242570.cif |
|---|---|
| Structure factors | 2242570.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Allyl-4-methylbenzenesulfonamide |
|---|---|
| Formula | C10 H13 N O2 S |
| Calculated formula | C10 H13 N O2 S |
| SMILES | S(=O)(=O)(NCC=C)c1ccc(cc1)C |
| Title of publication | Crystal structure of <i>N</i>-allyl-4-methylbenzenesulfonamide |
| Authors of publication | Patel, Zeel S.; Stevens, Amanda C.; Bookout, Erin C.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 8 |
| Pages of publication | 1126 - 1129 |
| a | 7.5538 ± 0.001 Å |
| b | 8.2591 ± 0.0011 Å |
| c | 9.7145 ± 0.0013 Å |
| α | 85.9415 ± 0.0016° |
| β | 72.9167 ± 0.0016° |
| γ | 67.6989 ± 0.0015° |
| Cell volume | 535.42 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209166 (current) | 2018-07-20 | cif/ hkl/ Adding structures of 2242570 via cif-deposit CGI script. |
2242570.cif 2242570.hkl |
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Users of the data should acknowledge the original authors of the
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