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Information card for entry 2241235
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| Coordinates | 2241235.cif |
|---|---|
| Structure factors | 2241235.hkl |
| Original paper (by DOI) | HTML |
| Common name | 14245a |
|---|---|
| Chemical name | (<i>N</i>-Methyl-<i>N</i>-phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)disulfane |
| Formula | C15 H16 N2 O S2 |
| Calculated formula | C15 H16 N2 O S2 |
| SMILES | S(SN(C)c1ccccc1)C(=O)N(c1ccccc1)C |
| Title of publication | Crystal structures of (<i>N</i>-methyl-<i>N-</i>phenylamino)(<i>N</i>-methyl-<i>N</i>-phenylcarbamoyl)sulfide and the corresponding disulfane |
| Authors of publication | Henley, Matthew J.; Schroll, Alayne L.; Young, Jr, Victor G.; Barany, George |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | 1371 - 1374 |
| a | 16.0414 ± 0.0017 Å |
| b | 5.5023 ± 0.0006 Å |
| c | 17.2986 ± 0.0019 Å |
| α | 90° |
| β | 105.564 ± 0.001° |
| γ | 90° |
| Cell volume | 1470.9 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241235.cif 2241235.hkl |
| 169830 | 2015-10-29 | cif/ hkl/ Adding structures of 2241234, 2241235 via cif-deposit CGI script. |
2241235.cif 2241235.hkl |
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Users of the data should acknowledge the original authors of the
structural data.