Information card for entry 2220966

Structure parameters

• Chemical name: 4-(4-Methoxyphenyl)piperazin-1-ium chloride
• Formula: C11 H17 Cl N2 O
• Calculated formula: C11 H17 Cl N2 O
• SMILES: O(c1ccc(N2CC[NH2+]CC2)cc1)C.[Cl-]
• Title of publication: 4-(4-Methoxyphenyl)piperazin-1-ium chloride
• Authors of publication: Zia-ur-Rehman; Tahir, M. Nawaz; Danish, Muhammad; Muhammad, Niaz; Ali, Saqib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o503
• a: 10.289 ± 0.0007 Å
• b: 31.5218 ± 0.0018 Å
• c: 7.5909 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2461.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes