Information card for entry 2235999

Structure parameters

• Chemical name: Dimethyl 2,2'-[2,2'-bi(1<i>H</i>-1,3-benzimidazole)-1,1'-diyl]diacetate
• Formula: C20 H18 N4 O4
• Calculated formula: C20 H18 N4 O4
• SMILES: COC(=O)Cn1c2ccccc2nc1c1nc2c(n1CC(=O)OC)cccc2
• Title of publication: Dimethyl 2,2'-[2,2'-bi(1<i>H</i>-1,3-benzimidazole)-1,1'-diyl]diacetate
• Authors of publication: Guo, Huai-Ling; Liu, Jia-Cheng; Xiao, Chao-Hu; Pang, Ting; Cao, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2512
• a: 6.904 ± 0.004 Å
• b: 8.494 ± 0.005 Å
• c: 8.643 ± 0.005 Å
• α: 67.191 ± 0.005°
• β: 70.36 ± 0.005°
• γ: 87.172 ± 0.005°
• Cell volume: 438.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1268
• 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