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Information card for entry 1551445
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| Coordinates | 1551445.cif |
|---|---|
| Structure factors | 1551445.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Amino-6-chloropyridine‒glutaric acid (1/1) |
|---|---|
| Chemical name | 6-Chloropyridin-2-amine‒pentanedioic acid (1/1) |
| Formula | C10 H13 Cl N2 O4 |
| Calculated formula | C10 H13 Cl N2 O4 |
| SMILES | c1(cccc(n1)N)Cl.C(=O)(CCCC(=O)O)O |
| Title of publication | 2-Amino-6-chloropyridine‒glutaric acid (1/1) |
| Authors of publication | Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | x190781 |
| a | 14.7115 ± 0.0016 Å |
| b | 4.9598 ± 0.0006 Å |
| c | 17.3105 ± 0.0019 Å |
| α | 90° |
| β | 112.96 ± 0.002° |
| γ | 90° |
| Cell volume | 1163 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.043 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0861 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216007 (current) | 2019-06-15 | cif/ hkl/ Adding structures of 1551445 via cif-deposit CGI script. |
1551445.cif 1551445.hkl |
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Users of the data should acknowledge the original authors of the
structural data.