Information card for entry 2243106

Structure parameters

• Chemical name: 4-(4-Methoxyphenyl)piperazin-1-ium hydrogenmaleate
• Formula: C15 H20 N2 O5
• Calculated formula: C15 H20 N2 O5
• SMILES: [NH2+]1CCN(CC1)c1ccc(cc1)OC.C(=O)(/C=C\C(=O)O)[O-]
• Title of publication: Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions
• Authors of publication: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1494 - 1506
• a: 9.063 ± 0.001 Å
• b: 6.4956 ± 0.0009 Å
• c: 26.093 ± 0.003 Å
• α: 90°
• β: 93.18 ± 0.01°
• γ: 90°
• Cell volume: 1533.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1108
• 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