Information card for entry 2216018

Structure parameters

• Chemical name: 2-(2-Ethoxyphenyl)-1H-benzimidazole monohydrate
• Formula: C15 H16 N2 O2
• Calculated formula: C15 H16 N2 O2
• SMILES: c12ccccc1nc(c1c(cccc1)OCC)[nH]2.O
• Title of publication: 2-(2-Ethoxyphenyl)-1<i>H</i>-benzimidazole monohydrate
• Authors of publication: Navarrete-Vázquez, Gabriel; Moreno-Diaz, Hermenegilda; Estrada-Soto, Samuel; Tlahuext, Hugo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4208 - o4208
• a: 7.9148 ± 0.0016 Å
• b: 12.307 ± 0.003 Å
• c: 13.737 ± 0.003 Å
• α: 90°
• β: 105.49 ± 0.03°
• γ: 90°
• Cell volume: 1289.5 ± 0.5 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes