Information card for entry 2210394

Structure parameters

• Chemical name: Bis(benzimidazol-2-ylmethyl)amine tetrahydrate
• Formula: C16 H23 N5 O4
• Calculated formula: C16 H23 N5 O4
• SMILES: C(c1[nH]c2ccccc2n1)NCc1nc2ccccc2[nH]1.O.O.O.O
• Title of publication: Bis(benzimidazol-2-ylmethyl)amine tetrahydrate
• Authors of publication: Meng, Xiang-Gao; Mei, Fu-Sheng; Liao, Zhan-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4120 - o4122
• a: 4.7111 ± 0.0006 Å
• b: 24.857 ± 0.003 Å
• c: 30.823 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3609.5 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes