Information card for entry 2244171

Structure parameters

• Common name: 4-Phenylpiperazin-1-ium <i>p</i>-toluenesulfonate
• Chemical name: 4-Phenylpiperazin-1-ium 4-methylbenzenesulfonate
• Formula: C17 H22 N2 O3 S
• Calculated formula: C17 H22 N2 O3 S
• 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: 8.325 ± 0.001 Å
• b: 10.949 ± 0.002 Å
• c: 18.418 ± 0.004 Å
• α: 90°
• β: 92.67 ± 0.02°
• γ: 90°
• Cell volume: 1677 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1952
• Residual factor for significantly intense reflections: 0.1257
• Weighted residual factors for significantly intense reflections: 0.2587
• Weighted residual factors for all reflections included in the refinement: 0.2975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes