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Information card for entry 1564791
Preview
| Coordinates | 1564791.cif |
|---|---|
| Structure factors | 1564791.hkl |
| Original IUCr paper | HTML |
| Chemical name | (3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate |
|---|---|
| Formula | C15 H16 N O1.5 |
| Calculated formula | C15 H16 N O1.5 |
| Title of publication | (3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate |
| Authors of publication | Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | x210989 |
| a | 17.1405 ± 0.0008 Å |
| b | 8.3052 ± 0.0004 Å |
| c | 18.5156 ± 0.0008 Å |
| α | 90° |
| β | 102.347 ± 0.004° |
| γ | 90° |
| Cell volume | 2574.8 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269420 (current) | 2021-10-01 | cif/ hkl/ Adding structures of 1564791 via cif-deposit CGI script. |
1564791.cif 1564791.hkl |
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Users of the data should acknowledge the original authors of the
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