Information card for entry 2244172

Structure parameters

• Common name: 4-Phenylpiperazin-1-ium tartarate monohydrate
• Chemical name: 4-Phenylpiperazin-1-ium 4-carboxy-2,3-dihydroxybutanoate monohydrate
• Formula: C14 H22 N2 O7
• Calculated formula: C14 H22 N2 O7
• Title of publication: The structures of eleven (4-phenyl)piperazinium salts containing organic anions
• Authors of publication: Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• Pages of publication: 1016 - 1027
• a: 7.1185 ± 0.0007 Å
• b: 7.5255 ± 0.0008 Å
• c: 29.955 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1604.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes