Information card for entry 2216824

Structure parameters

• Chemical name: 3-(3-Chlorophenyl)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-one
• Formula: C17 H13 Cl N2 O
• Calculated formula: C17 H13 Cl N2 O
• SMILES: Clc1cc(ccc1)/C=C/C(=O)c1n2ccccc2nc1C
• Title of publication: 3-(3-Chlorophenyl)-1-(2-methylimidazo[1,2-<i>a</i>]pyridin-3-yl)prop-2-en-1-one
• Authors of publication: Bibila Mayaya Bisseyou, Yvon; Soro, Adama P.; Sissouma, Drissa; Giorgi, Michel; Ebby, N'dédé
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4758 - o4759
• a: 4.784 ± 0.002 Å
• b: 21.69 ± 0.002 Å
• c: 13.773 ± 0.009 Å
• α: 90°
• β: 93.425 ± 0.004°
• γ: 90°
• Cell volume: 1426.6 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8781
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes