Information card for entry 2220201

Structure parameters

• Chemical name: 2-(4-Chloroanilino)quinoxaline
• Formula: C14 H10 Cl N3
• Calculated formula: C14 H10 Cl N3
• SMILES: Clc1ccc(Nc2nc3c(nc2)cccc3)cc1
• Title of publication: 2-(4-Chloroanilino)quinoxaline
• Authors of publication: Idris, Azila; Wan Saffiee, Wan Ainna Mardhiah; Abdullah, Zanariah; Ariffin, Azahar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2443
• a: 12.155 ± 0.001 Å
• b: 11.238 ± 0.001 Å
• c: 35.421 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4838.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes