Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512652
Preview
| Coordinates | 4512652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | piroxicam |
|---|---|
| Formula | C15 H13 N3 O4 S |
| Calculated formula | C15 H13 N3 O4 S |
| SMILES | c12ccccc1C(=C(C(=O)Nc1ccccn1)N(C)S2(=O)=O)O |
| Title of publication | Crystallization Optimization of Pharmaceutical Solid Forms with X-ray Compatible Microfluidic Platforms |
| Authors of publication | Horstman, Elizabeth M.; Goyal, Sachit; Pawate, Ashtamurthy; Lee, Garam; Zhang, Geoff G. Z.; Gong, Yuchuan; Kenis, Paul J. A. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1201 |
| a | 7.135 ± 0.001 Å |
| b | 15.15 ± 0.001 Å |
| c | 13.955 ± 0.001 Å |
| α | 90 ± 0.001° |
| β | 97.408 ± 0.002° |
| γ | 90 ± 0.001° |
| Cell volume | 1495.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1506 |
| Residual factor for significantly intense reflections | 0.1462 |
| Weighted residual factors for significantly intense reflections | 0.2483 |
| Weighted residual factors for all reflections included in the refinement | 0.2522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.796 |
| Diffraction radiation wavelength | 0.72932 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179674 (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 4/51/26. |
4512652.cif |
| 134748 | 2015-04-04 | cif/ Updating files of 4512652 Original log message: Adding full bibliography for 4512652.cif. |
4512652.cif |
| 131196 | 2015-02-06 | cif/ Adding structures of 4512652 via cif-deposit CGI script. |
4512652.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.