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Information card for entry 1561398
Preview
| Coordinates | 1561398.cif |
|---|---|
| Structure factors | 1561398.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate |
|---|---|
| Formula | C24 H22 N2 O5 |
| Calculated formula | C24 H22 N2 O5 |
| SMILES | c1(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc2c(cc1)cccc2.O |
| Title of publication | 2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate |
| Authors of publication | El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Baashen, Mohammed A.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | x210314 |
| a | 37.196 ± 0.004 Å |
| b | 4.8441 ± 0.0004 Å |
| c | 5.584 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1006.13 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263512 (current) | 2021-04-01 | cif/ hkl/ Adding structures of 1561398 via cif-deposit CGI script. |
1561398.cif 1561398.hkl |
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Users of the data should acknowledge the original authors of the
structural data.