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Information card for entry 1569176
Preview
| Coordinates | 1569176.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-<i>b</i>]quinazolin-9(4<i>H</i>)-one |
|---|---|
| Formula | C9 H10 N4 O |
| Calculated formula | C9 H10 N4 O |
| Title of publication | 5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Authors of publication | Ettahiri, Walid; Dalbouha, Amal; Baouid, Abdesselam; Alsubari, Abdulsalam; Mague, Joel T.; Taleb, Mustapha; Ramli, Youssef |
| Journal of publication | IUCrData |
| Year of publication | 2023 |
| Journal volume | 8 |
| Journal issue | 5 |
| a | 9.7925 ± 0.0003 Å |
| b | 7.9648 ± 0.0003 Å |
| c | 11.8039 ± 0.0004 Å |
| α | 90° |
| β | 113.553 ± 0.001° |
| γ | 90° |
| Cell volume | 843.95 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| 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 |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283745 (current) | 2023-05-13 | cif/ Adding structures of 1569176 via cif-deposit CGI script. |
1569176.cif |
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Users of the data should acknowledge the original authors of the
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