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Information card for entry 2241117
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| Coordinates | 2241117.cif |
|---|---|
| Structure factors | 2241117.hkl |
| Original IUCr paper | HTML |
| Common name | (2<i>R</i>)-1-[(Methylsulfonyl)oxy]propan-2-aminium chloride |
|---|---|
| Chemical name | (2<i>R</i>)-2-Azaniumylpropyl methanesulfonate chloride |
| Formula | C4 H12 Cl N O3 S |
| Calculated formula | C4 H12 Cl N O3 S |
| SMILES | C[C@@H]([NH3+])COS(=O)(=O)C.[Cl-] |
| Title of publication | Crystal structure of (2<i>R</i>)-1-[(methylsulfonyl)oxy]propan-2-aminium chloride: a chiral molecular salt |
| Authors of publication | Rajegowda, H. R.; Palakshamurthy, B. S.; Lokanath, N. K.; Naveen, S.; Raghavendra Kumar, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o733 - o734 |
| a | 5.4012 ± 0.0001 Å |
| b | 8.2178 ± 0.0002 Å |
| c | 10.2713 ± 0.0002 Å |
| α | 90° |
| β | 94.534 ± 0.001° |
| γ | 90° |
| Cell volume | 454.475 ± 0.016 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241117.cif 2241117.hkl |
| 158370 | 2015-09-26 | cif/ hkl/ Adding structures of 2241117 via cif-deposit CGI script. |
2241117.cif 2241117.hkl |
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Users of the data should acknowledge the original authors of the
structural data.