Information card for entry 2235849

Structure parameters

• Chemical name: 3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline
• Formula: C18 H15 N3 O2
• Calculated formula: C18 H15 N3 O2
• SMILES: COc1c(cc2c(cc(cc2)OC)n1)c1[nH]c2c(cccc2)n1
• Title of publication: 3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline
• Authors of publication: Alliouche, Hayette; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2492
• a: 6.7094 ± 0.0002 Å
• b: 9.4134 ± 0.0003 Å
• c: 49.162 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3104.99 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes