Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4510595
Preview
| Coordinates | 4510595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Lornoxicam |
|---|---|
| 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 - one 1,1-dioxide |
| Formula | C13 H10 Cl N3 O4 S2 |
| Calculated formula | C13 H10 Cl N3 O4 S2 |
| SMILES | s1c2C([O-])=C(N(S(=O)(=O)c2cc1Cl)C)C(=O)Nc1[nH+]cccc1 |
| 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 | 7.202 ± 0.0004 Å |
| b | 13.542 ± 0.0008 Å |
| c | 14.9987 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1462.82 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| 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. |
4510595.cif |
| 119065 | 2014-07-05 | cif/ Updating files of 4510592, 4510593, 4510594, 4510595, 4510596 Original log message: Adding full bibliography for 4510592--4510596.cif. |
4510595.cif |
| 112929 | 2014-05-07 | cif/ Adding structures of 4510595 via cif-deposit CGI script. |
4510595.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.