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Information card for entry 2200716
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| Coordinates | 2200716.cif |
|---|---|
| Structure factors | 2200716.hkl |
| Original IUCr paper | HTML |
| Common name | bis(β-Alanine) H+ nitrate |
|---|---|
| Chemical name | β-Alanine β-alaninium nitrate |
| Formula | C6 H15 N3 O7 |
| Calculated formula | C6 H15 N3 O7 |
| SMILES | N(=O)(=O)[O-].C(=O)(CC[NH3+])[O-].C(=O)(CC[NH3+])O |
| Title of publication | Bis(β-alanine) hydrogen nitrate |
| Authors of publication | B. Sridhar; N. Srinivasan; R. K. Rajaram |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | o1004 - o1006 |
| a | 19.791 ± 0.001 Å |
| b | 5.322 ± 0.0003 Å |
| c | 10.974 ± 0.001 Å |
| α | 90° |
| β | 113.923 ± 0.006° |
| γ | 90° |
| Cell volume | 1056.57 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for all reflections included in the refinement | 0.0916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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