Information card for entry 2206363

Structure parameters

• Chemical name: 1-Benzyl-2-[1-(5-methyl-1H-pyrazol-3-yl)-2-phenylethyl]benzimidazole
• Formula: C26 H24 N4
• Calculated formula: C26 H24 N4
• SMILES: n1c2c(n(c1C(c1n[nH]c(c1)C)Cc1ccccc1)Cc1ccccc1)cccc2
• Title of publication: 1-Benzyl-2-[1-(5-methyl-1<i>H</i>-pyrazol-3-yl)-2-phenylethyl]benzimidazole
• Authors of publication: Mehmet Akkurt; Şerife Pınar; Rachid Bouhfid; Ahmed Moussaif; El-Mokhtar Essassi; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2718 - o22719
• a: 10.244 ± 0.005 Å
• b: 10.601 ± 0.005 Å
• c: 11.404 ± 0.005 Å
• α: 64.499 ± 0.005°
• β: 74.587 ± 0.005°
• γ: 89.556 ± 0.005°
• Cell volume: 1069.5 ± 0.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No