Information card for entry 2212452

Structure parameters

• Chemical name: quinoxalinium 2,6-dihydroxybenzoate
• Formula: C15 H12 N2 O4
• Calculated formula: C15 H12 N2 O4
• SMILES: [nH+]1ccnc2ccccc12.c1(c(cccc1O)O)C(=O)[O-]
• Title of publication: Quinoxalinium 2,6-dihydroxybenzoate
• Authors of publication: Czapik, Agnieszka; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1480 - o1482
• a: 12.0557 ± 0.0005 Å
• b: 9.0755 ± 0.0004 Å
• c: 24.7931 ± 0.001 Å
• α: 90°
• β: 102.872 ± 0.003°
• γ: 90°
• Cell volume: 2644.48 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes