In the title molecule, [Fe(C5H5)(C19H15N2)], the five‐membered C3N2 imidazole ring forms dihedral angles of 84.71 (13) and 52.12 (11)°, respectively, with the substituted cyclopentadienyl and phenyl rings. In the crystal structure, in addition to a weak C—H...N interaction, there is a modest C—H...π(ring) interaction involving a C—H group of the unsubstituted cyclopentadienyl ring and the imidazole ring.
Key indicatorsSingle-crystal X-ray study T = 297 K Mean '(C±C) = 0.004 A Ê R factor = 0.041 wR factor = 0.105 Data-to-parameter ratio = 18.5For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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 degrees angle about the MeO-C-C groups are evident, with angles of 115.1 (2) and 125.0 (2) degrees in (I), and 115.9 (2) and 124.6 (2) degrees, and 115.7 (2) and 125.1 (2) degrees in (II). The main intermolecular hydrogen bonds in (I) comprise C-H.N and C-H.pi(C5H5) interactions, while in (II), only weak C-H.pi(imidazole) and C-H.pi(arene) interactions are present.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.