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Information card for entry 7214700
Preview
| Coordinates | 7214700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1:1 ethenzamide and salicylic acid cocrystal |
|---|---|
| Chemical name | cocrystal of ethenzamide with salicylic acid |
| Formula | C16 H17 N O5 |
| Calculated formula | C16 H17 N O5 |
| SMILES | O=C(N)c1ccccc1OCC.O=C(O)c1ccccc1O |
| Title of publication | Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies |
| Authors of publication | Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 8515 |
| a | 10.679 ± 0.002 Å |
| b | 9.667 ± 0.0019 Å |
| c | 14.845 ± 0.003 Å |
| α | 90° |
| β | 106.97 ± 0.03° |
| γ | 90° |
| Cell volume | 1465.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0845 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1845 |
| Weighted residual factors for all reflections included in the refinement | 0.195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7214700.cif |
| 180478 | 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 7/21/47. |
7214700.cif |
| 110949 | 2014-04-20 | cif/ Adding structures of 7214700, 7214701, 7214702, 7214703, 7214704, 7214705 via cif-deposit CGI script. |
7214700.cif |
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Users of the data should acknowledge the original authors of the
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