Information card for entry 2022717

Structure parameters

• Common name: 4-(4-Nitrophenyl)piperazin-1-ium salicylate
• Chemical name: 4-(4-Nitrophenyl)piperazin-1-ium 2-hydroxybenzoate
• Formula: C17 H19 N3 O5
• Calculated formula: C17 H19 N3 O5
• Title of publication: Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.
• Authors of publication: Archana, Sreeramapura D.; Foro, Sabine; Yathirajan, Hemmige S.; Kiran Kumar, Haruvegowda; Balerao, Rishik; Butcher, Ray J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 373 - 379
• a: 7.0018 ± 0.0003 Å
• b: 7.3938 ± 0.0003 Å
• c: 31.531 ± 0.001 Å
• α: 90°
• β: 90.132 ± 0.004°
• γ: 90°
• Cell volume: 1632.35 ± 0.11 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes