Information card for entry 2214923

Structure parameters

• Chemical name: 2-(1H-Benzimidazol-1-yl)-1-(2-furyl)-3-phenylpropan-1-one
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: o1c(ccc1)C(=O)C(n1cnc2ccccc12)Cc1ccccc1
• Title of publication: 2-(1<i>H</i>-Benzimidazol-1-yl)-1-(2-furyl)-3-phenylpropan-1-one
• Authors of publication: Özel Güven, Özden; Erdoğan, Taner; Çaylak, Nagihan; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3638 - o3638
• a: 16.3886 ± 0.0002 Å
• b: 6.5976 ± 0.0002 Å
• c: 16.7166 ± 0.0003 Å
• α: 90°
• β: 114.677 ± 0.009°
• γ: 90°
• Cell volume: 1642.42 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes