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Information card for entry 4510592
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| Coordinates | 4510592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Lornoxicam Mesylate salt |
|---|---|
| Chemical name | (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-ol-1,1-dioxide) Mesylate |
| Formula | C14 H14 Cl N3 O7 S3 |
| Calculated formula | C14 H14 Cl N3 O7 S3 |
| SMILES | S(=O)(=O)([O-])C.S1(=O)(=O)N(C(=C(O)c2sc(Cl)cc12)C(=O)Nc1[nH+]cccc1)C |
| Title of publication | Lornoxicam Salts: Crystal Structures, Conformations, and Solubility |
| Authors of publication | Suresh, Kuthuru; Nangia, Ashwini |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2945 |
| a | 13.473 ± 0.0011 Å |
| b | 13.2684 ± 0.0008 Å |
| c | 11.2407 ± 0.0008 Å |
| α | 90° |
| β | 111.707 ± 0.009° |
| γ | 90° |
| Cell volume | 1867 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.112 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179652 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05. |
4510592.cif |
| 119065 | 2014-07-05 | cif/ Updating files of 4510592, 4510593, 4510594, 4510595, 4510596 Original log message: Adding full bibliography for 4510592--4510596.cif. |
4510592.cif |
| 112926 | 2014-05-07 | cif/ Adding structures of 4510592 via cif-deposit CGI script. |
4510592.cif |
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