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Information card for entry 2021812
Preview
| Coordinates | 2021812.cif |
|---|---|
| Structure factors | 2021812.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | paracetamol formIII |
|---|---|
| Chemical name | <i>N</i>-(4-Hydroxyphenyl)acetamid |
| Formula | C8 H9 N O2 |
| Calculated formula | C8 H9 N O2 |
| Title of publication | Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data |
| Authors of publication | Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 392 - 399 |
| a | 11.8376 ± 0.00029 Å |
| b | 8.5688 ± 0.0003 Å |
| c | 14.81837 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1503.09 ± 0.07 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| RFsqd | 0.039 |
| Goodness-of-fit parameter for all reflections | 4.69 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021812.cif 2021812.hkl |
| 227650 | 2019-11-12 | cif/ hkl/ Adding structures of 2021811, 2021812 via cif-deposit CGI script. |
2021812.cif 2021812.hkl |
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Users of the data should acknowledge the original authors of the
structural data.