Information card for entry 2240742

Structure parameters

• Chemical name: 3-(3,4-Dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O1C(=O)c2ccccc2C1Nc1cc(c(cc1)C)C
• Title of publication: Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one
• Authors of publication: Salim, Muhammad; Tahir, Muhammad Nawaz; Shahid, Muhammad; Munawar, Munawar Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o413
• a: 7.3386 ± 0.0007 Å
• b: 14.9133 ± 0.0011 Å
• c: 24.3322 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2663 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes