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Information card for entry 2238195
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| Coordinates | 2238195.cif |
|---|---|
| Structure factors | 2238195.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-5-methylpyridinium 3-hydroxypyridine-2-carboxylate |
|---|---|
| Formula | C12 H13 N3 O3 |
| Calculated formula | C12 H13 N3 O3 |
| SMILES | Oc1cccnc1C(=O)[O-].[nH+]1c(N)ccc(c1)C |
| Title of publication | 2-Amino-5-methylpyridinium 3-hydroxypyridine-2-carboxylate |
| Authors of publication | Farhadikoutenaei, Abbas; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1118 - o1119 |
| a | 7.3443 ± 0.0004 Å |
| b | 16.4321 ± 0.0009 Å |
| c | 10.8235 ± 0.0005 Å |
| α | 90° |
| β | 118.25 ± 0.003° |
| γ | 90° |
| Cell volume | 1150.62 ± 0.11 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/81. |
2238195.cif 2238195.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238195.cif 2238195.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238195.cif 2238195.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238195.cif 2238195.hkl |
| 87442 | 2013-08-27 | cif/ Adding structures of 2238195 via cif-deposit CGI script. |
2238195.cif |
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Users of the data should acknowledge the original authors of the
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