Information card for entry 7105031

Structure parameters

• Common name: bis(1-imidazo(1,5-a)pyridyl)arylmethanes
• Formula: C31 H21 Cl N6
• Calculated formula: C31 H21 Cl N6
• SMILES: c1(ccc(cc1)C(c1c2ccccn2c(c2ccccn2)n1)c1c2ccccn2c(c2ccccn2)n1)Cl
• Title of publication: Iodine-mediated cyclization of N-thioacyl-1-(2-pyridyl)-1,2-aminoalcohols and their subsequent condensation leading to the formation of novel bis(1-imidazo[1,5-a]pyridyl)arylmethanes.
• Authors of publication: Tahara, Shinsuke; Shibahara, Fumitoshi; Maruyama, Toshifumi; Murai, Toshiaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 7009 - 7011
• a: 11.262 ± 0.006 Å
• b: 10.562 ± 0.006 Å
• c: 20.766 ± 0.012 Å
• α: 90°
• β: 96.078 ± 0.007°
• γ: 90°
• Cell volume: 2456 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No