Information card for entry 2219882

Structure parameters

• Chemical name: 1,3-Bis(4-methoxyphenyl)imidazolidium chloride monohydrate
• Formula: C17 H19 Cl N2 O3
• Calculated formula: C17 H19 Cl N2 O3
• SMILES: c1n(cc[n+]1c1ccc(cc1)OC)c1ccc(cc1)OC.O.[Cl-]
• Title of publication: 1,3-Bis(4-methoxyphenyl)imidazolidium chloride monohydrate
• Authors of publication: Wan, Yu; Xin, Haiqiang; Chen, Xiumei; Xu, Huahong; Wu, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2159
• a: 15.6706 ± 0.0019 Å
• b: 9.4198 ± 0.0009 Å
• c: 5.4026 ± 0.0004 Å
• α: 90°
• β: 90.156 ± 0.001°
• γ: 90°
• Cell volume: 797.5 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes