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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 |
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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 |
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