Information card for entry 2243513

Structure parameters

• Chemical name: 1,4-Dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione
• Formula: C23 H20 N2 O2
• Calculated formula: C23 H20 N2 O2
• SMILES: O=C1N(c2c(cc(cc2)C)N(C1=O)Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis, crystal structures and Hirshfeld surface analysis of 1,4-dibenzyl-6-methyl-1,4-dihydroquinoxaline-2,3-dione
• Authors of publication: Cinar, Emine Berrin; Zouitini, Ayman; Kandri Rodi, Youssef; Ouzidan, Younes; Marrot, Jérôme; Prim, Damien; Dege, Necmi; Saif, Eiad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1361 - 1364
• a: 9.0844 ± 0.0012 Å
• b: 18.7227 ± 0.0018 Å
• c: 11.2708 ± 0.0014 Å
• α: 90°
• β: 104.848 ± 0.004°
• γ: 90°
• Cell volume: 1853 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1097
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes