Information card for entry 2218981

Structure parameters

• Chemical name: 1-[2-(3,4-Dichlorobenzyloxy)-2-phenylethyl]-1<i>H</i>-benzimidazole
• Formula: C22 H18 Cl2 N2 O
• Calculated formula: C22 H18 Cl2 N2 O
• SMILES: Clc1ccc(COC(Cn2cnc3ccccc23)c2ccccc2)cc1Cl
• Title of publication: 1-[2-(3,4-Dichlorobenzyloxy)-2-phenylethyl]-1<i>H</i>-benzimidazole
• Authors of publication: Özel Güven, Özden; Erdoğan, Taner; Coles, Simon J.; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1588 - o1589
• a: 14.4664 ± 0.0003 Å
• b: 7.3995 ± 0.0002 Å
• c: 19.103 ± 0.0003 Å
• α: 90°
• β: 111.653 ± 0.001°
• γ: 90°
• Cell volume: 1900.57 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes