Organogallium compounds containing the neophyl substituent. Crystal and molecular structure of trans-[(PhMe2CCH2)2GaN(H)(Pr)]2

Article abstract of DOI:10.1021/om00039a009

A series of organogallium compounds which contain the neophyl substituent including Ga(CH₂CMe₂Ph)₃, Ga(CH₂CMe₂Ph)₂Cl, Ga(CH₂CMe₂Ph)Cl₂, and (PhMe₂CCH₂)₂GaN(H)(Pr) have been prepared in high yield by reactions typical of organogallium chemistry. The characterization data include elemental analyses, melting points, NMR and IR spectroscopic studies, and cryoscopic molecular weight studies. All data are consistent with the conclusions that Ga(CH₂CMe₂Ph)₃ is monomeric in benzene solution whereas Ga(CH₂CMe₂Ph)₂Cl, Ga(CH₂CMe₂Ph)Cl₂, and (PhMe₂CCH₂)₂GaN(H)(Pr) are dimeric. The gallium amide [(PhMe₂CCH₂)₂GaN(H)(Pr)]₂ crystallizes in the centrosymmetric triclinic space group P1 (No. 2) with a = 10.739 (2) A?, b = 10.844 (2) A?, c = 11.125 (2) A?, α = 69.14 (1)°, β = 62.96 (1)°, γ = 76.74 (1)°, V = 1074.7 (3) A?³, and Z = 1. Diffraction data (Mo Κα, 2θ = 5-50°) were collected on a Siemens R3m/V automated four-circle diffractometer, and the structure was refined to R = 3.57percent and wR = 3.46percent for all 3803 unique reflections (R = 2.52percent, wR = 2.62percent for those 3111 data with \F_o\ >; 6σ(|F_o|)). The molecule lies on a crystallographic inversion center and thus has a strictly planar Ga₂N₂ core. Distances of interest include Ga-CH₂CMe₂Ph = 1.992 (2) and 1.994 (3) A? and Ga-N(bridging) = 2.013 (2) and 2.029 (2) A?.