Information card for entry 2219804

Structure parameters

• Chemical name: 6-(2-Fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-<i>c</i>]quinazoline
• Formula: C20 H14 F N3
• Calculated formula: C20 H14 F N3
• SMILES: Fc1c(C2Nc3c(c4n2c2c(n4)cccc2)cccc3)cccc1
• Title of publication: 6-(2-Fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-<i>c</i>]quinazoline
• Authors of publication: Li, Ai-Ke; Chen, Jian-Xin; Zheng, Li-Qun; Zhu, Mei-Ping; Zhang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2097
• a: 8.7344 ± 0.0017 Å
• b: 13.623 ± 0.003 Å
• c: 13.356 ± 0.003 Å
• α: 90°
• β: 99.78 ± 0.03°
• γ: 90°
• Cell volume: 1566.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes