Information card for entry 7243536

Structure parameters

• Chemical name: 2,3-bis(3-fluorophenyl)quinoxaline
• Formula: C20 H12 F2 N2
• Calculated formula: C20 H12 F2 N2
• SMILES: Fc1cc(c2nc3c(nc2c2cc(F)ccc2)cccc3)ccc1
• Title of publication: Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding
• Authors of publication: Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 7108 - 7117
• a: 12.7621 ± 0.0018 Å
• b: 7.6916 ± 0.0009 Å
• c: 15.439 ± 0.002 Å
• α: 90°
• β: 101.23 ± 0.007°
• γ: 90°
• Cell volume: 1486.5 ± 0.3 ų
• Cell temperature: 99.82 K
• Ambient diffraction temperature: 99.82 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: 0.1424
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No