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Information card for entry 8107023
Preview
| Coordinates | 8107023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 N5 O3 |
|---|---|
| Calculated formula | C17 H13 N5 O3 |
| Title of publication | Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3 |
| Authors of publication | Karrouchi, Khalid; Radi, Smaail; Ansar, Mhammed; Taoufik, Jamal; Ghabbour, Hazem A.; Mabkhot, Yahia N. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 839 - 841 |
| a | 20.1049 ± 0.0008 Å |
| b | 11.1534 ± 0.0004 Å |
| c | 6.889 ± 0.0003 Å |
| α | 90° |
| β | 97.224 ± 0.002° |
| γ | 90° |
| Cell volume | 1532.51 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282377 (current) | 2023-04-05 | cif/ Adding structures of 8107023 via cif-deposit CGI script. |
8107023.cif |
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Users of the data should acknowledge the original authors of the
structural data.