Information card for entry 8107159

Structure parameters

• Formula: C21 H20 N4 O2
• Calculated formula: C21 H20 N4 O2
• SMILES: O(c1ccc(/C=C/c2ccncc2)cc1)c1ncnc(N2CCOCC2)c1
• Title of publication: Crystal structure of (E)-4-(6-(4-(2-(pyridin-4-yl)vinyl)phenoxy)pyrimidin-4-yl)morpholine, C21H20N4O2
• Authors of publication: Bai, Su-Fen; Liu, Jia-Xuan; Li, Shan-Shan; Tian, Chun-Yu; La, Xiao-Jin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 583 - 585
• a: 5.874 ± 0.003 Å
• b: 16.526 ± 0.007 Å
• c: 20.147 ± 0.008 Å
• α: 67.14 ± 0.005°
• β: 83.287 ± 0.006°
• γ: 86.91 ± 0.006°
• Cell volume: 1789.7 ± 1.4 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: 0.1384
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No