Information card for entry 2216194

Structure parameters

• Chemical name: 4-(2-Pyridyl)piperazin-1-ium chloride
• Formula: C9 H14 Cl N3
• Calculated formula: C9 H14 Cl N3
• SMILES: [Cl-].[NH2+]1CCN(CC1)c1ncccc1
• Title of publication: 4-(2-Pyridyl)piperazin-1-ium chloride
• Authors of publication: Sadiq-ur-Rehman; Saeed, Sadia; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4526 - o4526
• a: 7.1757 ± 0.0006 Å
• b: 7.2196 ± 0.0006 Å
• c: 18.7629 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 972.02 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes