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Information card for entry 2020018
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| Coordinates | 2020018.cif |
|---|---|
| Structure factors | 2020018.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide‒acetic acid (1/1) |
|---|---|
| Chemical name | 2,4,6-Trimethyl-<i>N</i>-(6-methylpyridin-2-yl)benzenesulfonamide; acetic acid |
| Formula | C17 H22 N2 O4 S |
| Calculated formula | C17 H22 N2 O4 S |
| Title of publication | <i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide and acetic acid ‒ a salt, a cocrystal or both? |
| Authors of publication | Pan, Fangfang; Kalf, Irmgard; Englert, Ulli |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| a | 7.9551 ± 0.0007 Å |
| b | 8.878 ± 0.0008 Å |
| c | 13.9793 ± 0.0012 Å |
| α | 101.246 ± 0.0012° |
| β | 90.5899 ± 0.0012° |
| γ | 115.42 ± 0.001° |
| Cell volume | 869.65 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020018.cif 2020018.hkl |
| 140983 | 2015-07-08 | cif/ hkl/ Adding structures of 2020018, 2020019, 2020020 via cif-deposit CGI script. |
2020018.cif 2020018.hkl |
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Users of the data should acknowledge the original authors of the
structural data.