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Information card for entry 2242792
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| Coordinates | 2242792.cif |
|---|---|
| Structure factors | 2242792.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-[Ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide) |
|---|---|
| Formula | C16 H20 N2 O6 S2 |
| Calculated formula | C16 H20 N2 O6 S2 |
| SMILES | S(=O)(=O)(NOCCONS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-[ethane-1,2-diylbis(oxy)]bis(4-methylbenzenesulfonamide) |
| Authors of publication | Meral, Seher; Kansiz, Sevgi; Dege, Necmi; Alaman Agar, Aysen; Tsapyuk, Galyna G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 81 - 85 |
| a | 16.3393 ± 0.0018 Å |
| b | 13.4977 ± 0.0019 Å |
| c | 9.7461 ± 0.0011 Å |
| α | 90° |
| β | 113.442 ± 0.008° |
| γ | 90° |
| Cell volume | 1972 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212653 (current) | 2018-12-19 | cif/ hkl/ Adding structures of 2242792 via cif-deposit CGI script. |
2242792.cif 2242792.hkl |
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Users of the data should acknowledge the original authors of the
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