Information card for entry 2022961

Structure parameters

• Chemical name: 3-{1-[(2-Hydroxyphenyl)methyl]-1<i>H</i>-1,3-benzodiazol-2-yl}phenol
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• Title of publication: Crystal structure and Hirshfeld surface analysis of a new benzimidazole compound, 3-{1-[(2-hy-droxyphen-yl)meth-yl]-1<i>H</i>-1,3-benzo-diazol-2-yl}phenol.
• Authors of publication: Bouhidel, Zakaria; Sahli, Kaouther; Cherouana, Aouatef
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 18 - 21
• a: 10.6474 ± 0.0003 Å
• b: 13.2429 ± 0.0003 Å
• c: 11.4176 ± 0.0003 Å
• α: 90°
• β: 99.067 ± 0.001°
• γ: 90°
• Cell volume: 1589.79 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No