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Information card for entry 7219755
Preview
| Coordinates | 7219755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Piroxicam: Form Alpha2 |
|---|---|
| Chemical name | Piroxicam |
| Formula | C15 H13 N3 O4 S |
| Calculated formula | C15 H13 N3 O4 S |
| SMILES | S1(=O)(=O)N(C(=C(O)c2ccccc12)C(=O)Nc1ncccc1)C |
| Title of publication | Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam |
| Authors of publication | Upadhyay, Pratik P.; Bond, Andrew D. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 5266 |
| a | 17.577 ± 0.003 Å |
| b | 11.745 ± 0.002 Å |
| c | 6.8516 ± 0.0014 Å |
| α | 90° |
| β | 98.07 ± 0.01° |
| γ | 90° |
| Cell volume | 1400.5 ± 0.4 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 | 0.1357 |
| Residual factor for significantly intense reflections | 0.1004 |
| Weighted residual factors for significantly intense reflections | 0.2381 |
| Weighted residual factors for all reflections included in the refinement | 0.2586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219755.cif |
| 180528 | 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 7/21/97. |
7219755.cif |
| 143442 | 2015-07-10 | cif/ Updating files of 7219754, 7219755 Original log message: Adding full bibliography for 7219754--7219755.cif. |
7219755.cif |
| 133512 | 2015-03-06 | cif/ Adding structures of 7219754, 7219755 via cif-deposit CGI script. |
7219755.cif |
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Users of the data should acknowledge the original authors of the
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