Information card for entry 2224236

Structure parameters

• Chemical name: Benzimidazolium 2-(2,4-dichlorophenoxy)acetate monohydrate
• Formula: C15 H14 Cl2 N2 O4
• Calculated formula: C15 H14 Cl2 N2 O4
• SMILES: Clc1cc(Cl)ccc1OCC(=O)[O-].[nH]1c2c([nH+]c1)cccc2.O
• Title of publication: Benzimidazolium 2-(2,4-dichlorophenoxy)acetate monohydrate
• Authors of publication: Liu, Hui-Lian; Wang, Qing-Zhong; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3043
• a: 4.9322 ± 0.001 Å
• b: 23.808 ± 0.005 Å
• c: 13.931 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes