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Information card for entry 2240806
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| Coordinates | 2240806.cif |
|---|---|
| Structure factors | 2240806.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>-[2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-4-methylbenzenesulfonamide |
|---|---|
| Formula | C16 H17 N O4 S |
| Calculated formula | C16 H17 N O4 S |
| SMILES | S(=O)(=O)(NCCc1ccc2OCOc2c1)c1ccc(C)cc1 |
| Title of publication | Cystal structure of <i>N</i>-[2-(benzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-4-methylbenzenesulfonamide |
| Authors of publication | Huang, Ke-Bin; Zhang, Gui-Jie |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o452 |
| a | 12.3265 ± 0.0002 Å |
| b | 9.96026 ± 0.00016 Å |
| c | 12.7021 ± 0.0003 Å |
| α | 90° |
| β | 100.598 ± 0.0018° |
| γ | 90° |
| Cell volume | 1532.9 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0518 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240806.cif 2240806.hkl |
| 138437 | 2015-06-06 | cif/ hkl/ Adding structures of 2240806 via cif-deposit CGI script. |
2240806.cif 2240806.hkl |
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Users of the data should acknowledge the original authors of the
structural data.