Information card for entry 2226845

Structure parameters

• Chemical name: 2-(2-Chlorophenyl)-3-(3,4-dimethoxyphenyl)quinoxaline
• Formula: C22 H17 Cl N2 O2
• Calculated formula: C22 H17 Cl N2 O2
• SMILES: c1(nc2c(nc1c1cc(c(cc1)OC)OC)cccc2)c1c(cccc1)Cl
• Title of publication: 2-(2-Chlorophenyl)-3-(3,4-dimethoxyphenyl)quinoxaline
• Authors of publication: Cantalupo, Stefanie A.; Crundwell, Guy; Glagovich, Neil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2184
• a: 14.6741 ± 0.0013 Å
• b: 7.9731 ± 0.0007 Å
• c: 21.6996 ± 0.0017 Å
• α: 90°
• β: 132.56 ± 0.006°
• γ: 90°
• Cell volume: 1870 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes