AI Article Synopsis

  • The structures of tricarbonyl(formylcyclopentadienyl)manganese(I) and tricarbonyl(formylcyclopentadienyl)rhenium(I) were analyzed at low temperatures (100 K).
  • Both compounds feature a carbonyl group in a trans configuration relative to a substituted carbon atom on the cyclopentadienyl ring, with the other two carbonyls nearly eclipsed to their respective carbons.
  • The molecules create stacks due to attractive π interactions, with weak hydrogen bonds forming a three-dimensional network between the stacks.

Article Abstract

The structures of tricarbonyl(formylcyclopentadienyl)manganese(I), [Mn(C(6)H(5)O)(CO)(3)], (I), and tricarbonyl(formylcyclopentadienyl)rhenium(I), [Re(C(6)H(5)O)(CO)(3)], (II), were determined at 100 K. Compounds (I) and (II) both possess a carbonyl group in a trans position relative to the substituted C atom of the cyclopentadienyl ring, while the other two carbonyl groups are in almost eclipsed positions relative to their attached C atoms. Analysis of the intermolecular contacts reveals that the molecules in both compounds form stacks due to short attractive π(CO)...π(CO) and π(CO)...π interactions, along the crystallographic c axis for (I) and along the [201] direction for (II). Symmetry-related stacks are bound to each other by weak intermolecular C-H...O hydrogen bonds, leading to the formation of the three-dimensional network.

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Source
http://dx.doi.org/10.1107/S0108270112005562DOI Listing

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