外消旋三羰基[7-甲氧基-2-(η-苯基)苯并二氢吡喃]-铬(0)
Racemic tricarbon-yl[7-meth-oxy-2-(η-phen-yl)chromane]-chromium(0).
作者信息
Gohain Mukut, Muller Theunis J, Bezuidenhoudt Barend C B
机构信息
Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, South Africa.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):m438-9. doi: 10.1107/S1600536811008683. Epub 2011 Mar 12.
In the title compound, [Cr(C(16)H(16)O(2))(CO)(3)], the Cr(0) atom of the Cr(CO)(3) unit is coordinated to the phenyl ring of the flavan ligand in an η(6) mode, with a normal arene-to-metal distance. The Cr(CO)(3) unit exhibits a three-legged piano-stool conformation, while the dihydro-pyran ring displays a distorted envelope configuration. The phenyl ring is twisted away from the fused ring system by 25.5 (2)°. The meth-oxy group is almost coplanar with the phenyl ring [C(Me)-O-C(ar)-C(ar) torsion angle = 8.46 (2)°]. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions.
在标题化合物[Cr(C₁₆H₁₆O₂)(CO)₃]中，Cr(CO)₃单元的Cr(0)原子以η⁶模式与黄烷配体的苯环配位，具有正常的芳烃到金属的距离。Cr(CO)₃单元呈现出三脚钢琴凳构象，而二氢吡喃环呈现出扭曲的信封构型。苯环与稠环体系扭转了25.5 (2)°。甲氧基几乎与苯环共平面[C(Me)-O-C(ar)-C(ar)扭转角 = 8.46 (2)°]。晶体堆积通过分子间C-H⋯O相互作用得以稳定。
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