Information card for entry 2230798

Structure parameters

• Chemical name: 3-Ethyl-5-(4-methoxyphenoxy)-2-(pyridin-4-yl)-3<i>H</i>- imidazo[4,5-<i>b</i>]pyridine
• Formula: C20 H18 N4 O2
• Calculated formula: C20 H18 N4 O2
• SMILES: c1(ccc2c(n1)n(c(c1ccncc1)n2)CC)Oc1ccc(cc1)OC
• Title of publication: 3-Ethyl-5-(4-methoxyphenoxy)-2-(pyridin-4-yl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Ranjith, S.; SubbiahPandi, A.; Suresh, A. D.; Pitchumani, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1764
• a: 13.6591 ± 0.0004 Å
• b: 13.7104 ± 0.0004 Å
• c: 9.3177 ± 0.0002 Å
• α: 90°
• β: 98.94 ± 0.001°
• γ: 90°
• Cell volume: 1723.74 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes