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Information card for entry 2241961
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| Coordinates | 2241961.cif |
|---|---|
| Structure factors | 2241961.hkl |
| Original IUCr paper | HTML |
| Common name | Meloxicam acetylenedicarboxylic acid |
|---|---|
| Chemical name | 4-Hydroxy-2-methyl-<i>N</i>-(5-methyl-1,3-thiazol-2-yl)-2<i>H</i>-1,2-benzothiazine-3-carboxamide‒2-butynedioic acid (2/1) |
| Formula | C32 H28 N6 O12 S4 |
| Calculated formula | C32 H28 N6 O12 S4 |
| SMILES | c12ccccc1C(=C(N(C)S2(=O)=O)C(=O)Nc1sc(cn1)C)O.OC(=O)C#CC(=O)O.c12ccccc1C(=C(N(C)S2(=O)=O)C(=O)Nc1ncc(s1)C)O |
| Title of publication | Crystal structure of a 2:1 co-crystal of meloxicam with acetylendicarboxylic acid |
| Authors of publication | Tantardini, Christian; Arkhipov, Sergey G.; Cherkashina, Ksenya A.; Kil'met'ev, Alexander S.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1856 - 1859 |
| a | 7.3861 ± 0.0003 Å |
| b | 8.5629 ± 0.0003 Å |
| c | 15.1619 ± 0.0006 Å |
| α | 75.839 ± 0.003° |
| β | 79.196 ± 0.003° |
| γ | 70.1 ± 0.003° |
| Cell volume | 868.55 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0471 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219800 (current) | 2019-10-28 | cif/2 Fixing Z values and formulae |
2241961.cif 2241961.hkl |
| 188747 | 2016-11-30 | cif/ hkl/ Adding structures of 2241961 via cif-deposit CGI script. |
2241961.cif 2241961.hkl |
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