Information card for entry 2215348

Structure parameters

• Chemical name: 1,3-Bis(2-hydroxybenzyl)-2,2-dimethyl-2,3-dihydro-1<i>H</i>-benzimidazole
• Formula: C23 H24 N2 O2
• Calculated formula: C23 H24 N2 O2
• SMILES: Oc1ccccc1CN1c2ccccc2N(C1(C)C)Cc1ccccc1O
• Title of publication: 1,3-Bis(2-hydroxybenzyl)-2,2-dimethyl-2,3-dihydro-1<i>H</i>-benzimidazole
• Authors of publication: Yang, Shu-Ping; Wang, Da-Qi; Han, Li-Jun; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4088 - o4088
• a: 19.137 ± 0.002 Å
• b: 8.0716 ± 0.0015 Å
• c: 6.1464 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 949.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes