Information card for entry 2223412

Structure parameters

• Common name: 2,4,5-tri(4-pyridyl)imidazole
• Chemical name: 2,4,5-Tri-4-pyridyl-1<i>H</i>-imidazole monohydrate
• Formula: C18 H15 N5 O
• Calculated formula: C18 H15 N5 O
• SMILES: c1cc(ccn1)c1[nH]c(c(c2ccncc2)n1)c1ccncc1.O
• Title of publication: 2,4,5-Tri-4-pyridyl-1<i>H</i>-imidazole monohydrate
• Authors of publication: Huang, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2329
• a: 8.91 ± 0.002 Å
• b: 9.401 ± 0.002 Å
• c: 10.638 ± 0.002 Å
• α: 72.027 ± 0.004°
• β: 70.624 ± 0.004°
• γ: 77.716 ± 0.004°
• Cell volume: 793.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes