Gillian Schwanitz, Daniel R. Griffith, Chip Nataro
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Abstract
The structures of [Fe(CO)3(η4-6-exo-(OH)cyclohepta-2,4-dien-1-one] [monoclinic, a = 6.6080(2), b = 11.9177(3), c = 13.1157(4), β = 102.590(3) space group P21/c] and [Fe(CO)3(η4-6-exo-(OD)cyclohepta-2,4-dien-1-one] [monoclinic, a = 6.5999(3), b = 11.8947(4), c = 13.1040(5), β = 102.497(4) space group P21/c] have been determined. There is moderate intermolecular hydrogen bonding observed between the alcohol and the ketone. The iron centers adopt a slightly distorted square pyramidal geometry.
Graphical Abstract
Addition of H2O or D2O to [Fe(CO)3(η5-cyclohepta-2,4-dien-5-yl-1-one)][BF4] results in a product that is formally attack at the coordinated ring in a position exo- to the iron atom forming the corresponding [Fe(CO)3(η4-6-exo-(OH/OD)cyclohepta-2,4-dien-1-one] compounds, which were structurally characterized
期刊介绍：
Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.
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