Information card for entry 2016487

Structure parameters

• Chemical name: 1,4-bis(benzimidazol-1-ylmethyl)benzene dihydrate
• Formula: C22 H22 N4 O2
• Calculated formula: C22 H22 N4 O2
• Title of publication: Assembly of a two-dimensional layer structure with 1,4-bis(1<i>H</i>-benzimidazol-1-ylmethyl)benzene dihydrate <i>via</i> hydrogen bonds and π‒π interactions
• Authors of publication: Wu, Chuan-Mei; Liang, Bing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o142 - o144
• a: 5.404 ± 0.0002 Å
• b: 10.7114 ± 0.0004 Å
• c: 16.5003 ± 0.0005 Å
• α: 90°
• β: 94.079 ± 0.003°
• γ: 90°
• Cell volume: 952.69 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes