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Information card for entry 2022719
Preview
Coordinates | 2022719.cif |
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Structure factors | 2022719.hkl |
Original paper (by DOI) | HTML |
Chemical name | 4-(4-Nitrophenyl)piperazin-1-ium 3,5-dinitrobenzoate |
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Formula | C17 H17 N5 O8 |
Calculated formula | C17 H17 N5 O8 |
Title of publication | Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine. |
Authors of publication | Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J. |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | Pt 4 |
Pages of publication | 373 - 379 |
a | 27.953 ± 0.006 Å |
b | 8.1422 ± 0.0006 Å |
c | 24.657 ± 0.005 Å |
α | 90° |
β | 136.55 ± 0.04° |
γ | 90° |
Cell volume | 3859 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.071 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1063 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
283579 (current) | 2023-05-06 | cif/ Updating files of 2022717, 2022718, 2022719 Original log message: Adding full bibliography for 2022717--2022719.cif. |
2022719.cif 2022719.hkl |
282401 | 2023-04-05 | cif/ hkl/ Adding structures of 2022717, 2022718, 2022719 via cif-deposit CGI script. |
2022719.cif 2022719.hkl |
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Users of the data should acknowledge the original authors of the
structural data.