Information card for entry 2216089

Structure parameters

• Chemical name: Quinoxaline–chloranilic acid (1/1)
• Formula: C14 H8 Cl2 N2 O4
• Calculated formula: C14 H8 Cl2 N2 O4
• SMILES: c1ccc2c(c1)nccn2.OC1=C(Cl)C(=O)C(=C(C1=O)Cl)O
• Title of publication: Quinoxaline–chloranilic acid (1/1)
• Authors of publication: Gotoh, Kazuma; Nagoshi, Hirokazu; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4295 - o4295
• a: 3.7963 ± 0.0003 Å
• b: 7.776 ± 0.0007 Å
• c: 22.483 ± 0.0014 Å
• α: 93.444 ± 0.003°
• β: 94.338 ± 0.003°
• γ: 92.322 ± 0.004°
• Cell volume: 659.92 ± 0.09 ų
• Cell temperature: 95 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes