Information card for entry 2232122

Structure parameters

• Chemical name: 1-Methyl-3-(4-chlorobenzoyl)imidazo[1,2-<i>a</i>]pyridin-1-ium-2-olate
• Formula: C15 H11 Cl N2 O2
• Calculated formula: C15 H11 Cl N2 O2
• SMILES: N1(C(=O)C(=n2ccccc12)C(=O)c1ccc(Cl)cc1)C
• Title of publication: 1-Methyl-3-(4-chlorobenzoyl)imidazo[1,2-<i>a</i>]pyridin-1-ium-2-olate
• Authors of publication: Rybakov, Victor B.; Babaev, Eugene V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2814
• a: 8.19 ± 0.008 Å
• b: 13.914 ± 0.003 Å
• c: 11.675 ± 0.004 Å
• α: 90°
• β: 102.38 ± 0.02°
• γ: 90°
• Cell volume: 1299.5 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes