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Information card for entry 2020783
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| Coordinates | 2020783.cif |
|---|---|
| Structure factors | 2020783.hkl |
| Original IUCr paper | HTML |
| Common name | Naproxen‒picolinamide (1/1) |
|---|---|
| Chemical name | (<i>S</i>)-2-(6-Methoxynaphthalen-2-yl)propanoic acid‒\ pyridine-2-carboxamide (1/1) |
| Formula | C20 H20 N2 O4 |
| Calculated formula | C20 H20 N2 O4 |
| SMILES | O=C(O)[C@H](c1cc2c(cc(OC)cc2)cc1)C.O=C(N)c1ncccc1 |
| Title of publication | Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal |
| Authors of publication | Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| Pages of publication | 168 - 175 |
| a | 5.3048 ± 0.0005 Å |
| b | 31.891 ± 0.003 Å |
| c | 10.508 ± 0.001 Å |
| α | 90° |
| β | 98.184 ± 0.003° |
| γ | 90° |
| Cell volume | 1759.6 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections | 0.1025 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9443 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199075 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020783 via cif-deposit CGI script. |
2020783.cif 2020783.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.