Information card for entry 1546657

Structure parameters

• Chemical name: (Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate
• Formula: C22 H18 N3 O3.5
• Calculated formula: C22 H18 N3 O3.5
• Title of publication: (Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate
• Authors of publication: Filali Baba, Yassir; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 7
• Pages of publication: x171038
• a: 4.9634 ± 0.0001 Å
• b: 14.0708 ± 0.0003 Å
• c: 25.7168 ± 0.0006 Å
• α: 90°
• β: 90.602 ± 0.001°
• γ: 90°
• Cell volume: 1795.94 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes