Information card for entry 2211865

Structure parameters

• Chemical name: 2-(benzimidazol-2-yl)-6-methoxyphenol
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: Oc1c(c2[nH]c3c(n2)cccc3)cccc1OC
• Title of publication: Second monoclinic polymorph of 2-(benzimidazol-2-yl)-6-methoxyphenol
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Kamarulazizi Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o300 - o302
• a: 20.0313 ± 0.0006 Å
• b: 12.0577 ± 0.0004 Å
• c: 20.0379 ± 0.0007 Å
• α: 90°
• β: 107.382 ± 0.002°
• γ: 90°
• Cell volume: 4618.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes