Information card for entry 2235608

Structure parameters

• Chemical name: 1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride
• Formula: C19 H19 Cl N4 O2
• Calculated formula: C19 H19 Cl N4 O2
• SMILES: c1n(cc[n+]1CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1.[Cl-]
• Title of publication: 1,3-Bis(2-anilino-2-oxoethyl)-1<i>H</i>-imidazol-3-ium chloride
• Authors of publication: Liao, Chuang-Yi; Lee, Hon Man
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2232
• a: 8.4375 ± 0.0005 Å
• b: 12.0446 ± 0.0007 Å
• c: 17.5449 ± 0.001 Å
• α: 90°
• β: 90.789 ± 0.003°
• γ: 90°
• Cell volume: 1782.85 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes