Information card for entry 2224492

Structure parameters

• Common name: guanidinium quinoline-2-carboxylate
• Chemical name: Guanidinium quinoline-2-carboxylate
• Formula: C11 H12 N4 O2
• Calculated formula: C11 H12 N4 O2
• SMILES: [O-]C(=O)c1nc2ccccc2cc1.NC(=[NH2+])N
• Title of publication: Guanidinium quinoline-2-carboxylate
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3220
• a: 7.4318 ± 0.0003 Å
• b: 42.2105 ± 0.0018 Å
• c: 7.3035 ± 0.0004 Å
• α: 90°
• β: 94.045 ± 0.004°
• γ: 90°
• Cell volume: 2285.4 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes