Information card for entry 2200236

Structure parameters

• Common name: ferrocenylmethyl(chlorophenyl)benzimidazole
• Chemical name: 2-(3-Chlorophenyl)-1-ferrocenylmethyl-1H-1,3-benzimidazole
• Formula: C24 H19 Cl Fe N2
• Calculated formula: C24 H19 Cl Fe N2
• SMILES: [Fe]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[c]23Cn1c(c2cc(Cl)ccc2)nc(c12)cccc2
• Title of publication: 2-(3-Chlorophenyl)-1-ferrocenylmethyl-1<i>H</i>-1,3-benzimidazole: an electroactive agent for anion sensor and malarial parasite studies
• Authors of publication: Gallagher, John F.; Hanlon, Keith; Howarth, Joshua; Thomas, Jean-Luc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m134 - m136
• a: 11.6838 ± 0.0009 Å
• b: 9.922 ± 0.0006 Å
• c: 16.7493 ± 0.0014 Å
• α: 90°
• β: 90.542 ± 0.006°
• γ: 90°
• Cell volume: 1941.6 ± 0.2 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes