Information card for entry 8107398

Structure parameters

• Formula: C19 H17 N5 O2
• Calculated formula: C19 H17 N5 O2
• Title of publication: Crystal structure of (S,E)-3-((pyridin-2-ylmethylene)amino)-2-(pyridin-4-yl)-2,3- dihydroquinazolin-4(1H)-one monohydrate, C19H15N5O⋅H2O
• Authors of publication: Xiong, Ying; Chuan, Gao; An, Ya
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 215 - 216
• a: 9.1132 ± 0.0007 Å
• b: 9.6788 ± 0.0009 Å
• c: 11.0964 ± 0.001 Å
• α: 65.796 ± 0.003°
• β: 79.406 ± 0.003°
• γ: 87.484 ± 0.003°
• Cell volume: 876.96 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0713
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No