Information card for entry 2231514

Structure parameters

• Chemical name: 2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-6-ethoxyphenol
• Formula: C22 H19 N3 O2
• Calculated formula: C22 H19 N3 O2
• SMILES: O(CC)c1c(O)c(C2Nc3c(cccc3)c3n2c2c(n3)cccc2)ccc1
• Title of publication: 2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-6-ethoxyphenol
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Lo, Kong Mun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2519
• a: 8.6935 ± 0.0003 Å
• b: 10.9167 ± 0.0003 Å
• c: 11.3401 ± 0.0005 Å
• α: 107.193 ± 0.002°
• β: 108.923 ± 0.002°
• γ: 104.723 ± 0.002°
• Cell volume: 896.66 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes