Information card for entry 7102160

Structure parameters

• Common name: 1-((4-pyridyl)methyl)-2-phenylimidazole, 4-hydroxybenzoic acid
• Chemical name: 1-[(4-pyridyl)methyl]-2-phenylimidazole, 4-hydroxybenzoic acid
• Formula: C22 H19 N3 O3
• Calculated formula: C22 H19 N3 O3
• SMILES: n1(c(ncc1)c1ccccc1)Cc1ccncc1.c1(C(=O)O)ccc(O)cc1
• Title of publication: Constructing, deconstructing, and reconstructing ternary supermolecules.
• Authors of publication: Aakeröy, Christer B; Desper, John; Smith, Michelle M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 3936 - 3938
• a: 8.0137 ± 0.0008 Å
• b: 9.8024 ± 0.0009 Å
• c: 12.0784 ± 0.0013 Å
• α: 82.364 ± 0.006°
• β: 86.045 ± 0.007°
• γ: 75.888 ± 0.006°
• Cell volume: 911.35 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No