Information card for entry 2210200

Structure parameters

• Chemical name: 2-(2-Benzyloxy-3-methoxyphenyl)-1H-benzimidazole
• Formula: C21 H18 N2 O2
• Calculated formula: C21 H18 N2 O2
• SMILES: O(c1c(c2[nH]c3ccccc3n2)cccc1OC)Cc1ccccc1
• Title of publication: 2-(2-Benzyloxy-3-methoxyphenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Mohammed H. Al-Douh; Shafida A. Hamid; Hasnah Osman; Shea-Lin Ng; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3954 - o3956
• a: 9.5417 ± 0.0001 Å
• b: 18.459 ± 0.0003 Å
• c: 11.0653 ± 0.0002 Å
• α: 90°
• β: 123.814 ± 0.001°
• γ: 90°
• Cell volume: 1619.27 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0659
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes