Information card for entry 2209813

Structure parameters

• Common name: quinoxaline‒hydroquinone (2/1)
• Chemical name: quinoxaline‒benzene-1,4-diol (2/1)
• Formula: C22 H18 N4 O2
• Calculated formula: C22 H18 N4 O2
• SMILES: c1ccc2c(c1)nccn2.c1ccc2c(c1)nccn2.Oc1ccc(cc1)O
• Title of publication: Quinoxaline‒hydroquinone (2/1)
• Authors of publication: Kadzewski, Arkadiusz; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3498 - o3500
• a: 7.0724 ± 0.0009 Å
• b: 7.2096 ± 0.001 Å
• c: 9.1803 ± 0.0012 Å
• α: 72.204 ± 0.012°
• β: 88.516 ± 0.011°
• γ: 85.046 ± 0.011°
• Cell volume: 444.03 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes