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Information card for entry 2312067
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| Coordinates | 2312067.cif |
|---|---|
| Structure factors | 2312067.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(4-Nitrophenyl)piperazinium 4-aminobenzoate monohydrate |
|---|---|
| Formula | C17 H22 N4 O5 |
| Calculated formula | C17 H22 N4 O5 |
| Title of publication | Syntheses and crystal structures of four 4-(4-nitro-phen-yl)piperazinium salts with hydrogen succinate, 4-amino-benzoate, 2-(4-chloro-phen-yl)acetate and 2,3,4,5,6-penta-fluoro-benzoate anions. |
| Authors of publication | Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 3 |
| Pages of publication | 151 - 156 |
| a | 6.0453 ± 0.0003 Å |
| b | 7.393 ± 0.0003 Å |
| c | 19.1439 ± 0.0006 Å |
| α | 79.482 ± 0.002° |
| β | 89.215 ± 0.001° |
| γ | 83.967 ± 0.001° |
| Cell volume | 836.55 ± 0.06 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282425 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2312066, 2312067, 2312068, 2312069 via cif-deposit CGI script. |
2312067.cif 2312067.hkl |
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Users of the data should acknowledge the original authors of the
structural data.