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Information card for entry 2312280
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| Coordinates | 2312280.cif |
|---|---|
| Structure factors | 2312280.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-(Butan-2-ylidene)pyridine-4-carbohydrazide; 2-chloro-4-nitrobenzoic acid |
|---|---|
| Formula | C17 H17 Cl N4 O5 |
| Calculated formula | C17 H17 Cl N4 O5 |
| Title of publication | The synthesis and characterization of a series of cocrystals of an isoniazid derivative with butan-2-one and propan-2-one. |
| Authors of publication | Scheepers, Matthew Clarke; Lemmerer, Andreas |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 9 |
| a | 7.2682 ± 0.0003 Å |
| b | 34.0775 ± 0.0015 Å |
| c | 7.6124 ± 0.0003 Å |
| α | 90° |
| β | 111.081 ± 0.002° |
| γ | 90° |
| Cell volume | 1759.27 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285853 (current) | 2023-08-24 | cif/ hkl/ Adding structures of 2312277, 2312278, 2312279, 2312280, 2312281 via cif-deposit CGI script. |
2312280.cif 2312280.hkl |
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