Information card for entry 8102799

Structure parameters

• Chemical name: 2-(pyridin-2-yl)quinoline-4-carboxylate nitrate
• Formula: C15 H11 N3 O5
• Calculated formula: C15 H11 N3 O5
• SMILES: n1c(cc(c2c1cccc2)C(=O)O)c1[nH+]cccc1.N(=O)(=O)[O-]
• Title of publication: Crystal structure of 2-(pyridinium-2-yl)quinoline-4-carboxylic acid nitrate, C15H11N3O5
• Authors of publication: Shi-Wen Huang; Jin-Sheng Cheng; Hai-Feng Lu; Xian-Hong Yin; Hu-Jun Hao; Yan-Ci Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 555
• a: 7.352 ± 0.002 Å
• b: 8.537 ± 0.003 Å
• c: 11.213 ± 0.002 Å
• α: 102.495 ± 0.004°
• β: 105.999 ± 0.004°
• γ: 93.297 ± 0.003°
• Cell volume: 655.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No