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Information card for entry 2017598
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| Coordinates | 2017598.cif |
|---|---|
| Structure factors | 2017598.hkl |
| Original IUCr paper | HTML |
| Common name | 2-aminopyridinium DL-malate |
|---|---|
| Chemical name | 2-aminopyridinium DL-3-carboxy-2-hydroxypropanoate |
| Formula | C9 H12 N2 O5 |
| Calculated formula | C9 H12 N2 O5 |
| SMILES | O=C([O-])C(O)CC(=O)O.[nH+]1c(cccc1)N |
| Title of publication | Hydrogen-bonded networks in 5-chloropyridin-2-amine‒fumaric acid (2/1) and 2-aminopyridinium <small>DL</small>-malate |
| Authors of publication | Perpétuo, Genivaldo Julio; Janczak, Jan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | o225 - o228 |
| a | 7.619 ± 0.0015 Å |
| b | 7.473 ± 0.0015 Å |
| c | 19.042 ± 0.004 Å |
| α | 90° |
| β | 99.85 ± 0.03° |
| γ | 90° |
| Cell volume | 1068.2 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1238 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.0726 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180844 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/75. |
2017598.cif 2017598.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017598.cif 2017598.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017598.cif 2017598.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2017598.cif 2017598.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017598.cif 2017598.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2017598.cif 2017598.hkl |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2017598.cif |
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