Information card for entry 2231710

Structure parameters

• Chemical name: 2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methylphenol
• Formula: C21 H17 N3 O
• Calculated formula: C21 H17 N3 O
• SMILES: Cc1ccc(c(c1)O)C1Nc2ccccc2c2n1c1ccccc1n2
• Title of publication: 2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methylphenol
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2373 - o2374
• a: 15.1292 ± 0.0003 Å
• b: 12.2648 ± 0.0002 Å
• c: 17.1909 ± 0.0003 Å
• α: 90°
• β: 96.233 ± 0.001°
• γ: 90°
• Cell volume: 3171.03 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes