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Information card for entry 7214365
Preview
| Coordinates | 7214365.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1:1 pico:mal |
|---|---|
| Formula | C9 H10 N2 O5 |
| Calculated formula | C9 H10 N2 O5 |
| SMILES | n1ccccc1C(=O)N.O=C(CC(=O)O)O |
| Title of publication | Can picolinamide be a promising cocrystal former? |
| Authors of publication | Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 21 |
| Pages of publication | 4365 |
| a | 5.166 ± 0.001 Å |
| b | 7.666 ± 0.002 Å |
| c | 13.086 ± 0.003 Å |
| α | 74.73 ± 0.011° |
| β | 81.423 ± 0.012° |
| γ | 77.409 ± 0.013° |
| Cell volume | 485.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214365.cif |
| 180474 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/43. |
7214365.cif |
| 116182 | 2014-06-07 | cif/ Updating files of 7214357, 7214358, 7214359, 7214360, 7214361, 7214362, 7214363, 7214364, 7214365 Original log message: Adding full bibliography for 7214357--7214365.cif. |
7214365.cif |
| 109490 | 2014-04-15 | cif/ Adding structures of 7214357, 7214358, 7214359, 7214360, 7214361, 7214362, 7214363, 7214364, 7214365 via cif-deposit CGI script. |
7214365.cif |
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Users of the data should acknowledge the original authors of the
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