Information card for entry 2237132

Structure parameters

• Chemical name: 1-{2-Benzyloxy-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole
• Formula: C26 H27 N3 O2
• Calculated formula: C26 H27 N3 O2
• SMILES: O(C(Cn1cnc2c1cccc2)c1ccc(N2CCOCC2)cc1)Cc1ccccc1
• Title of publication: 1-{2-Benzyloxy-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole
• Authors of publication: Özel Güven, Özden; Çapanlar, Seval; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o147 - o148
• a: 9.4719 ± 0.0003 Å
• b: 10.5057 ± 0.0003 Å
• c: 11.811 ± 0.0004 Å
• α: 96.824 ± 0.003°
• β: 108.953 ± 0.004°
• γ: 98.312 ± 0.003°
• Cell volume: 1082.51 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes