Acta Crystallographica Section C

Crystal Structure Communications

Volume 57, Part 12 (December 2001)

Acta Cryst. (2001). C57, 1410-1414    [doi:10.1107/S0108270101015591]

Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC₆H₄ and 3,4-(MeO)₂C₆H₃ groups: analysis of MeO-C-C distortions from ideal 120° geometry

J. F. Gallagher, K. Hanlon and J. Howarth

Abstract: The title compounds, 1-ferrocenylmethyl-2-(4-methoxyphenyl)-1H-benzimidazole, [Fe(C₅H₅)(C₂₀H₁₇N₂O)], (I), and 2-(3,4-dimethoxyphenyl)-1-ferrocenylmethyl-1H-benzimidazole, [Fe(C₅H₅)(C₂₁H₁₉N₂O₂)], (II), are model electroactive compounds for anion sensor and antimalarial applications. Distortions from the ideal 120° angle about the MeO-C-C groups are evident, with angles of 115.1  (2) and 125.0  (2)° in (I), and 115.9  (2) and 124.6  (2)°, and 115.7  (2) and 125.1  (2)° in (II). The main intermolecular hydrogen bonds in (I) comprise C-HN and C-H(C₅H₅) interactions, while in (II), only weak C-H(imidazole) and C-H(arene) interactions are present.

Formula: [Fe(C₅H₅)(C₂₀H₁₇N₂O)] and [Fe(C₅H₅)(C₂₁H₁₉N₂O₂)]

Online 6 December 2001

	Structure factor file (CIF format) (236.6 kbytes) Contains datablock I
	Structure factor file (CIF format) (249.2 kbytes) Contains datablock II

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