Information card for entry 2227401

Structure parameters

• Common name: Quinoxaline
• Chemical name: Quinoxaline
• Formula: C8 H6 N2
• Calculated formula: C8 H6 N2
• SMILES: n1ccnc2ccccc12
• Title of publication: Quinoxaline: <i>Z</i>' = 1 form
• Authors of publication: Ranganathan, Sathishkumar; Mahapatra, Sudarshan; Thakur, Tejender S.; Desiraju, Gautam R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2789
• a: 4.0212 ± 0.0013 Å
• b: 7.187 ± 0.002 Å
• c: 23.095 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 667.5 ± 0.3 ų
• Cell temperature: 270 ± 2 K
• Ambient diffraction temperature: 270 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes