Information card for entry 1506338

Structure parameters

• Chemical name: N-(2-oxo-1-phenyl-2-pyridin-4-yl-ethyl)benzamide
• Formula: C20 H20 N2 O
• Calculated formula: C20 H16 N2 O2
• SMILES: O=C(NC(C(=O)c1ccncc1)c1ccccc1)c1ccccc1
• Title of publication: A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker
• Authors of publication: Li, Weiwei; Lam, Yulin
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 644
• a: 8.8589 ± 0.0009 Å
• b: 9.5619 ± 0.0009 Å
• c: 11.5289 ± 0.0011 Å
• α: 111.301 ± 0.002°
• β: 90.111 ± 0.002°
• γ: 115.935 ± 0.002°
• Cell volume: 803.03 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No