Information card for entry 2023190

Structure parameters

• Chemical name: 4-(Dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate; <i>N</i>,<i>N</i>-dimethylpyridin-4-amine
• Formula: C23 H27 N5 O4 S
• Calculated formula: C23 H27 N5 O4 S
• Title of publication: Crystal structure of the 1:1 co-crystal 4-(dimethylamino)pyridin-1-ium 8-hydroxyquinoline-5-sulfonate–N,N-dimethylpyridin-4-amine
• Authors of publication: Isobe, Mami; Kashiwagi, Yukiyasu; Kubono, Koji
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• a: 8.00032 ± 0.0001 Å
• b: 15.14469 ± 0.00018 Å
• c: 18.9141 ± 0.0002 Å
• α: 90°
• β: 100.605 ± 0.0012°
• γ: 90°
• Cell volume: 2252.53 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No