Information card for entry 1546674

Structure parameters

• Chemical name: 1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione
• Formula: C22 H17 Cl N2 O2
• Calculated formula: C22 H17 Cl N2 O2
• SMILES: Clc1cc2N(C(=O)C(=O)N(c2cc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione
• Authors of publication: El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: x170901
• a: 29.2234 ± 0.0004 Å
• b: 8.3076 ± 0.0002 Å
• c: 31.0407 ± 0.0005 Å
• α: 90°
• β: 101.859 ± 0.002°
• γ: 90°
• Cell volume: 7375.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes