Information card for entry 1506337

Structure parameters

• Chemical name: 2-(4-Phenyl-5-(pyridin-4-yl)-1H-imidazol-1-yl)ethanol
• Formula: C16 H15 N3 O
• Calculated formula: C16 H15 N3 O
• SMILES: OCCn1c(c(nc1)c1ccccc1)c1ccncc1
• 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: 8.7569 ± 0.0006 Å
• b: 12.5075 ± 0.0008 Å
• c: 12.7422 ± 0.0008 Å
• α: 74.569 ± 0.001°
• β: 86.623 ± 0.001°
• γ: 81.9 ± 0.001°
• Cell volume: 1331.55 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0745
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No