Information card for entry 2230738

Structure parameters

• Chemical name: Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(morpholin-4-yl)phenyl]-1<i>H</i>-1,3-benzimidazole-5-carboxylate
• Formula: C26 H32 N4 O4
• Calculated formula: C26 H32 N4 O4
• SMILES: CCOC(=O)c1ccc2c(c1)nc(n2CCN1CCOCC1)c1ccc(cc1)N1CCOCC1
• Title of publication: Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(morpholin-4-yl)phenyl]-1<i>H</i>-1,3-benzimidazole-5-carboxylate
• Authors of publication: Yoon, Yeong Keng; Ali, Mohamed Ashraf; Ismail, Rusli; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1772
• a: 10.3595 ± 0.0003 Å
• b: 20.687 ± 0.0006 Å
• c: 23.7904 ± 0.0007 Å
• α: 90°
• β: 112.839 ± 0.002°
• γ: 90°
• Cell volume: 4698.7 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.094
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1537
• 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: Yes
• Has Fobs: Yes