Information card for entry 2238844

Structure parameters

• Chemical name: 2-[(Quinolin-8-yloxy)methyl]-1<i>H</i>-benzimidazole monohydrate
• Formula: C17 H15 N3 O2
• Calculated formula: C17 H15 N3 O2
• SMILES: O(c1cccc2cccnc12)Cc1[nH]c2ccccc2n1.O
• Title of publication: 2-[(Quinolin-8-yloxy)methyl]-1<i>H</i>-benzimidazole monohydrate
• Authors of publication: Tang, Lin; Zhang, Yue; Wen, Yonghong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1838
• a: 6.1679 ± 0.0012 Å
• b: 11.094 ± 0.002 Å
• c: 20.502 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1402.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No