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Information card for entry 1573078
Preview
| Coordinates | 1573078.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile |
|---|---|
| Formula | C14 H12 N2 O2 S |
| Calculated formula | C14 H12 N2 O2 S |
| Title of publication | 2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile |
| Authors of publication | Nyapola, Carren; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 11 |
| a | 8.6822 ± 0.0002 Å |
| b | 10.0623 ± 0.0002 Å |
| c | 16.5504 ± 0.0004 Å |
| α | 77.201 ± 0.001° |
| β | 84.053 ± 0.001° |
| γ | 73.839 ± 0.001° |
| Cell volume | 1352.89 ± 0.05 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295858 (current) | 2024-11-09 | cif/ Adding structures of 1573078 via cif-deposit CGI script. |
1573078.cif |
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Users of the data should acknowledge the original authors of the
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