Information card for entry 2231518

Structure parameters

• Common name: 2-(5,6-dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)5-methoxyphenol
• Chemical name: 2-(5,6-dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methoxyphenol
• Formula: C21 H17 N3 O2
• Calculated formula: C21 H17 N3 O2
• SMILES: Oc1c(C2n3c4ccccc4nc3c3ccccc3N2)ccc(OC)c1
• Title of publication: 2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)-5-methoxyphenol
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2410 - o2411
• a: 9.5408 ± 0.0001 Å
• b: 15.6503 ± 0.0002 Å
• c: 11.7609 ± 0.0001 Å
• α: 90°
• β: 110.408 ± 0.001°
• γ: 90°
• Cell volume: 1645.87 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0929
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes