84394-00-3Relevant academic research and scientific papers
Metal dimers as catalysts. 5. Catalytic synthesis of [(η6-arene)Cr(CO)2(CNR)] and the crystal and molecular structure of [(η6-C6H5CO2Me)Cr(CO) 2(CN-t-Bu)]
Harris, Gillian W.,Albers, Michel O.,Boeyens, Jan C. A.,Coville, Neil J.
, p. 609 - 614 (2008/10/08)
The reaction between [(η6-arene)Cr(CO)3] and isocyanides, RNC, is catalyzed by [(η5-C5R′5)Fe(CO)2] 2PdO mixtures (R′ = H, Me) in refluxing heptane and yields [(η6-arene)Cr(CO)2(CNR)] (η6-arene = C6H5CO2Me, C6H6, and C6H5Me and R = t-Bu and 2,6-Me2C6H3; η6-arene = C6H5Cl and C6H3Me3 and R = t-Bu) in moderate yield (50-90%). The crystal and molecular structure of [(η6-C6H5CO2Me)Cr(CO) 2(CN-t-Bu)] is reported. Crystal data are as follows: space group P1, a = 12.812 (6) A?, b = 9.314 (5) A?, c = 6.087 (3) A?, α = 97.28 (3)°, β = 87.94 (3)°, γ = 106.02 (3)°, V = 774.47 A?3; Z = 2. Least-squares refinement on 2115 unique reflections yielded R = 0.042. The Cr(CO)2(CNR) tripod is staggered with respect to the C atoms of the arene ring while the RNC and CO2Me groups show near parallel alignment. The C-N-C angle of the t-BuNC ligand is nonlinear [166.8 (4)°] and can account for the anomalous IR (v(NC) region) spectra observed.
