Information card for entry 2230793

Structure parameters

• Chemical name: 1-Methyl-2-({[(1-methyl-1<i>H</i>-benzimidazol-2- yl)methyl](phenyl)amino}methyl)1<i>H</i>-benzimidazol-3-ium picrate
• Formula: C30 H26 N8 O7
• Calculated formula: C30 H26 N8 O7
• SMILES: [O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.n1c2ccccc2n(c1CN(Cc1[nH+]c2c(n1C)cccc2)c1ccccc1)C
• Title of publication: 1-Methyl-2-({[(1-methyl-1<i>H</i>-benzimidazol-2-yl)methyl](phenyl)amino}methyl)1<i>H</i>-benzimidazol-3-ium picrate
• Authors of publication: Liu, Bin; Kou, Fan; Jia, Fei; Yuan, Jingkui; Wu, Huilu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1816
• a: 9.4233 ± 0.0005 Å
• b: 12.3523 ± 0.0007 Å
• c: 12.5772 ± 0.0007 Å
• α: 92.007 ± 0.001°
• β: 98.497 ± 0.001°
• γ: 103.685 ± 0.001°
• Cell volume: 1403.07 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes