Information card for entry 2312066

Structure parameters

• Chemical name: 4-(4-Nitrophenyl)piperazinium hydrogen succinate
• Formula: C14 H19 N3 O6
• Calculated formula: C14 H19 N3 O6
• SMILES: O=N(=O)c1ccc(N2CC[NH2+]CC2)cc1.[O-]C(=O)CCC(=O)O
• 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: 25.2747 ± 0.0012 Å
• b: 8.0434 ± 0.0004 Å
• c: 15.6617 ± 0.0005 Å
• α: 90°
• β: 105.384 ± 0.002°
• γ: 90°
• Cell volume: 3069.9 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.039
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes