Information card for entry 2220648

Structure parameters

• Chemical name: <i>N</i>-(Quinoxalin-2-yl)-4-toluidine
• Formula: C15 H13 N3
• Calculated formula: C15 H13 N3
• SMILES: Cc1ccc(cc1)Nc1cnc2c(n1)cccc2
• Title of publication: <i>N</i>-(Quinoxalin-2-yl)-4-toluidine
• Authors of publication: Wan Saffiee, Wan Ainna Mardhiah; Idris, Azila; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o93
• a: 12.2081 ± 0.0009 Å
• b: 11.372 ± 0.0009 Å
• c: 35.097 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4872.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes