Information card for entry 2231760

Structure parameters

• Chemical name: 2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1-decyl-1<i>H</i>-benzimidazole
• Formula: C27 H36 N4
• Calculated formula: C27 H36 N4
• SMILES: [nH]1c2ccccc2nc1CCCc1nc2ccccc2n1CCCCCCCCCC
• Title of publication: 2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1-decyl-1<i>H</i>-benzimidazole
• Authors of publication: Ennajih, Hamid; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2544
• a: 38.558 ± 0.0006 Å
• b: 13.2052 ± 0.0002 Å
• c: 9.9623 ± 0.0002 Å
• α: 90°
• β: 95.339 ± 0.001°
• γ: 90°
• Cell volume: 5050.46 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.105
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes