Information card for entry 8102614

Structure parameters

• Common name: methyl 4-((2-(2-pyridyl)-1<i>H</i>-benzimidazole)methyl)benzoate
• Chemical name: methyl 4-((2-(2-pyridyl)-1<i>H</i>-benzimidazole)methyl)benzoate
• Formula: C21 H17 N3 O2
• Calculated formula: C21 H17 N3 O2
• SMILES: c1cccc2c1n(c(c1ncccc1)n2)Cc1ccc(cc1)C(=O)OC
• Title of publication: Crystal structure of methyl 4-[(2-(2-pyridyl)-1H-benzimidazole)methyl]benzoate, C21H17N3O2
• Authors of publication: Jiao Guo; Dao-Cheng Xia; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 99
• a: 5.6913 ± 0.0007 Å
• b: 11.2648 ± 0.0016 Å
• c: 26.611 ± 0.004 Å
• α: 90°
• β: 90.319 ± 0.011°
• γ: 90°
• Cell volume: 1706 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1365
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No