Information card for entry 7155498

Structure parameters

• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O(c1cc2ncc(nc2cc1)c1ccccc1)C
• Title of publication: Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.
• Authors of publication: Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2259 - 2268
• a: 16.0372 ± 0.0012 Å
• b: 3.9616 ± 0.0003 Å
• c: 18.8895 ± 0.0014 Å
• α: 90 ± 0.005°
• β: 101.354 ± 0.006°
• γ: 90 ± 0.005°
• Cell volume: 1176.62 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No