Information card for entry 2226723

Structure parameters

• Common name: 6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)nicotinonitrile
• Chemical name: 6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)pyridine-3-carbonitrile
• Formula: C18 H15 N3 O S
• Calculated formula: C17.9983 H15 N3 O S
• SMILES: CCOc1nc(cc(c1C#N)c1cccs1)c1ccc(cc1)N
• Title of publication: 6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)nicotinonitrile
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Padaki, Mahesh; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1811 - o1812
• a: 7.0751 ± 0.0012 Å
• b: 20.843 ± 0.004 Å
• c: 20.983 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3094.3 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes