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Information card for entry 1559333
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| Coordinates | 1559333.cif |
|---|---|
| Structure factors | 1559333.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(Dimethylamino)benzohydrazide |
|---|---|
| Formula | C9 H13 N3 O |
| Calculated formula | C9 H13 N3 O |
| SMILES | O=C(NN)c1ccc(N(C)C)cc1 |
| Title of publication | 4-(Dimethylamino)benzohydrazide |
| Authors of publication | Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | x201310 |
| a | 24.7018 ± 0.0006 Å |
| b | 6.3093 ± 0.0001 Å |
| c | 13.2103 ± 0.0003 Å |
| α | 90° |
| β | 118.05 ± 0.0008° |
| γ | 90° |
| Cell volume | 1817.01 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258304 (current) | 2020-10-10 | cif/ hkl/ Adding structures of 1559333 via cif-deposit CGI script. |
1559333.cif 1559333.hkl |
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