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Information card for entry 2242951
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| Coordinates | 2242951.cif |
|---|---|
| Structure factors | 2242951.hkl |
| Original IUCr paper | HTML |
| Chemical name | Butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate |
|---|---|
| Formula | C19 H18 N2 O6 |
| Calculated formula | C19 H18 N2 O6 |
| Title of publication | Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate |
| Authors of publication | Diana, Rosita; Tuzi, Angela; Panunzi, Barbara; Carella, Antonio; Caruso, Ugo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 880 - 887 |
| a | 9.442 ± 0.0016 Å |
| b | 9.558 ± 0.003 Å |
| c | 11.419 ± 0.002 Å |
| α | 110.58 ± 0.02° |
| β | 95.669 ± 0.019° |
| γ | 108.863 ± 0.019° |
| Cell volume | 886.3 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2174 |
| Residual factor for significantly intense reflections | 0.0932 |
| Weighted residual factors for significantly intense reflections | 0.1918 |
| Weighted residual factors for all reflections included in the refinement | 0.2363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215526 (current) | 2019-05-25 | cif/ hkl/ Adding structures of 2242951, 2242952 via cif-deposit CGI script. |
2242951.cif 2242951.hkl |
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Users of the data should acknowledge the original authors of the
structural data.