Information card for entry 2214373

Structure parameters

• Chemical name: cis-(±)-Phenyl[2,4,5-tri-2-pyridyl-4,5-dihydroimidazol-1-yl]methanone
• Formula: C25 H19 N5 O
• Calculated formula: C25 H19 N5 O
• SMILES: C1(c2ccccn2)N([C@@H]([C@H](c2ccccn2)N=1)c1ccccn1)C(=O)c1ccccc1.C1(c2ccccn2)N([C@H]([C@@H](c2ccccn2)N=1)c1ccccn1)C(=O)c1ccccc1
• Title of publication: <i>cis</i>-(±)-Phenyl[2,4,5-tri-2-pyridyl-4,5-dihydroimidazol-1-yl]methanone
• Authors of publication: Campos-Gaxiola, José J.; Aguirre, Gerardo; Parra-Hake, Miguel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3126 - o3127
• a: 8.004 ± 0.003 Å
• b: 10.085 ± 0.004 Å
• c: 13.432 ± 0.004 Å
• α: 108.65 ± 0.04°
• β: 93.56 ± 0.03°
• γ: 99.84 ± 0.04°
• Cell volume: 1004.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1228
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes