Information card for entry 2202043

Structure parameters

• Chemical name: Piperazinium bis(Hydrogen maleate)
• Formula: C12 H18 N2 O8
• Calculated formula: C12 H18 N2 O8
• SMILES: O=C(O)/C=C/C(=O)[O-].[O-]C(=O)/C=C/C(=O)O.[NH2+]1CC[NH2+]CC1
• Title of publication: Strong symmetrical intramolecular hydrogen bonds in diprotonated piperazinium bis(hydrogenmaleate)
• Authors of publication: Zhi Min Jin; Mao Lin Hu; Kui Wu Wang; Liang Shen; Mei Chao Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o1 - o3
• a: 10.735 ± 0.002 Å
• b: 11.603 ± 0.002 Å
• c: 11.843 ± 0.002 Å
• α: 90°
• β: 105.87 ± 0.01°
• γ: 90°
• Cell volume: 1418.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes