Information card for entry 7155497

Structure parameters

• Formula: C14 H9 Cl N2
• Calculated formula: C14 H9 Cl N2
• SMILES: Clc1cc2nc(c3ccccc3)cnc2cc1
• 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: 3.8983 ± 0.0005 Å
• b: 26.209 ± 0.003 Å
• c: 11.0333 ± 0.0011 Å
• α: 90°
• β: 96.286 ± 0.011°
• γ: 90°
• Cell volume: 1120.5 ± 0.2 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: 0.2615
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2407
• Weighted residual factors for all reflections included in the refinement: 0.3247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No