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Ferrocene compounds: methyl 1′‐aminoferrocene‐1‐carboxylate
Authors:Christoph Frster  Daniel Siebler  Katja Heinze
Abstract:The title compund, Fe(C5H6N)(C7H7O2)], features one strong intermolecular hydrogen bond of the type N—H...O=C N...O = 3.028 (2) Å] between the amine group and the carbonyl group of a neighbouring molecule, and vice versa, to form a centrosymmetric dimer. Furthermore, the carbonyl group acts as a double H‐atom acceptor in the formation of a second, weaker, hydrogen bond of the type C—H...O=C C...O = 3.283 (2) Å] with the methyl group of the ester group of a second neighbouring molecule at (x, −y − inline image, z − inline image). The methyl group also acts as a weak hydrogen‐bond donor, symmetry‐related to the latter described C—H...O=C interaction, to a third molecule at (x, −y − inline image, z + inline image) to form a two‐dimensional network. The cyclopentadienyl rings of the ferrocene unit are parallel to each other within 0.33 (3)° and show an almost eclipsed 1,1′‐conformation, with a relative twist angle of 9.32 (12)°. The ester group is twisted slightly 11.33 (8)°] relative to the cylopentadienyl plane due to the above‐mentioned intermolecular hydrogen bonds of the carbonyl group. The N atom shows pyramidal coordination geometry, with the sum of the X—N—Y angles being 340 (3)°.
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