Information card for entry 2231209

Structure parameters

• Chemical name: 4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)-3-methoxybenzaldehyde tetrahydrate
• Formula: C16 H22 N2 O7
• Calculated formula: C16 H22 N2 O7
• Title of publication: 4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)-3-methoxybenzaldehyde tetrahydrate
• Authors of publication: Jasinski, Jerry P.; Golen, James A.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2021 - o2022
• a: 6.8953 ± 0.0006 Å
• b: 11.4266 ± 0.0013 Å
• c: 11.7287 ± 0.0014 Å
• α: 107.965 ± 0.01°
• β: 90.906 ± 0.008°
• γ: 91.769 ± 0.008°
• Cell volume: 878.32 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes