Information card for entry 2231590

Structure parameters

• Chemical name: 2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)phenol
• Formula: C20 H15 N3 O
• Calculated formula: C20 H15 N3 O
• SMILES: Oc1ccccc1C1Nc2ccccc2c2n1c1ccccc1n2
• Title of publication: 2-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)phenol
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2243 - o2244
• a: 17.1513 ± 0.001 Å
• b: 19.116 ± 0.0011 Å
• c: 9.263 ± 0.0005 Å
• α: 90°
• β: 97.59 ± 0.001°
• γ: 90°
• Cell volume: 3010.4 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes