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Information card for entry 7211946
Preview
| Coordinates | 7211946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Maleic Acid & 4-Methylimidazole |
|---|---|
| Chemical name | Maleic Acid & 4-Methylimidazole |
| Formula | C8 H10 N2 O4 |
| Calculated formula | C8 H10 N2 O4 |
| SMILES | C(=O)(/C=C\C(=O)O)[O-].c1[nH]cc(C)[nH+]1 |
| Title of publication | A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives |
| Authors of publication | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 898 |
| a | 5.5883 ± 0.0002 Å |
| b | 22.5838 ± 0.0012 Å |
| c | 7.3581 ± 0.0004 Å |
| α | 90° |
| β | 98.578 ± 0.003° |
| γ | 90° |
| Cell volume | 918.24 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0854 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180450 (current) | 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 7/21/19. |
7211946.cif |
| 92498 | 2014-01-12 | cif/ Adding structures of 7211928, 7211929, 7211930, 7211931, 7211932, 7211933, 7211934, 7211935, 7211936, 7211937, 7211938, 7211939, 7211940, 7211941, 7211942, 7211943, 7211944, 7211945, 7211946 via cif-deposit CGI script. |
7211946.cif |
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Users of the data should acknowledge the original authors of the
structural data.