Information card for entry 2220774

Structure parameters

• Chemical name: 2-{2-[3-(1<i>H</i>-Benzimidazol-2-yl)quinolin-2-yloxy]ethoxy}ethanol
• Formula: C20 H19 N3 O3
• Calculated formula: C20 H19 N3 O3
• SMILES: n1c(c(cc2ccccc12)c1nc2ccccc2[nH]1)OCCOCCO
• Title of publication: 2-{2-[3-(1<i>H</i>-Benzimidazol-2-yl)quinolin-2-yloxy]ethoxy}ethanol
• Authors of publication: Rominger, Frank; Malathi, Mahalingam; Mohan, Palathurai Subramaniam; Ramamurthi Dondeti, Tanuja; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o401
• a: 11.9478 ± 0.0002 Å
• b: 13.1338 ± 0.0001 Å
• c: 12.4031 ± 0.0002 Å
• α: 90°
• β: 118.744 ± 0.001°
• γ: 90°
• Cell volume: 1706.47 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes