Information card for entry 2243656

Structure parameters

• Chemical name: 4-(2-Methoxyphenyl)piperazin-1-ium hydrogen maleate
• Formula: C15 H20 N2 O5
• Calculated formula: C15 H20 N2 O5
• SMILES: [NH2+]1CCN(CC1)c1c(cccc1)OC.C(=O)([O-])/C=C\C(=O)O
• Title of publication: Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions
• Authors of publication: Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1779 - 1793
• a: 11.1076 ± 0.0006 Å
• b: 11.1164 ± 0.0006 Å
• c: 13.7649 ± 0.0007 Å
• α: 80.353 ± 0.005°
• β: 78.353 ± 0.005°
• γ: 74.406 ± 0.005°
• Cell volume: 1591.76 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes