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Information card for entry 2108596
Preview
| Coordinates | 2108596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 N4 O5 |
|---|---|
| Calculated formula | C10 H8 N4 O5 |
| Title of publication | Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography |
| Authors of publication | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 11.67 ± 0.007 Å |
| b | 11.4666 ± 0.0012 Å |
| c | 8.494 ± 0.004 Å |
| α | 90° |
| β | 106.848 ± 0.014° |
| γ | 90° |
| Cell volume | 1087.8 ± 0.8 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Weighted residual factors for significantly intense reflections | 0.09592 |
| RFsqd | 0.04496 |
| Goodness-of-fit parameter for all reflections | 0.306 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5405 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250840 (current) | 2020-04-16 | cif/ hkl/ Adding structures of 2108596, 2108597 via cif-deposit CGI script. |
2108596.cif |
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