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Information card for entry 1543275
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| Coordinates | 1543275.cif |
|---|---|
| Structure factors | 1543275.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-6-methylpyridinium 2-hydroxybenzoate |
|---|---|
| Formula | C13 H14 N2 O3 |
| Calculated formula | C13 H14 N2 O3 |
| SMILES | c1cccc(c1C(=O)[O-])O.c1(cccc([nH+]1)N)C |
| Title of publication | 2-Amino-6-methylpyridinium 2-hydroxybenzoate |
| Authors of publication | Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160747 |
| a | 14.1096 ± 0.0006 Å |
| b | 14.1096 ± 0.0006 Å |
| c | 24.6537 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4908.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1063 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182860 (current) | 2016-05-11 | cif/ hkl/ Adding structures of 1543275 via cif-deposit CGI script. |
1543275.cif 1543275.hkl |
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Users of the data should acknowledge the original authors of the
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