Structural Report for Sc[(R,R)-norephedrine-pybox](OTf)3 Dimeric Complex
The title compound containing two metal centers each complexes to one enantiopure chiral norephedrine-derived pyridyl-(bis) oxazoline (pybox) ligand and linked by two hydroxide bridges, crystallizes to give rodlike form in the space group P21(# 4). Cell Parameters are a = 10.2344(18) Å, b = 13.952(3) Å, c = 23.371(4) Å, β = 94.586(4)°, V = 3326.6(10) Å3. The metal-hydroxide motif forms a square plane at the center of the structure with the scandium centers exhibiting a distorted pentagonal bipyramid coordination sphere consisting of the chelating ligand and two additional triflouromethyl sulfonyloxy species positioned anti to each other.
KeywordsScandium Pyridyl-(bis) oxazoline Catalyst
Y. Aye thanks Prof. D. A. Evans for his unconditional support in the crystallographic studies of chiral metal-pybox complexes and acknowledges an AAUW International Predoctoral Fellowship. The CCD based X-ray diffractometer at Harvard University was purchased through NIH grant (1S10RR11937-01).
- 1.SMART V 5.625 (NT) (2001) Software for the CCD detector system. Bruker analytical X-ray systems. Madison, WIGoogle Scholar
- 2.SAINT V 6.22 (NT) (2001) Software for the CCD detector system. Bruker analytical X-ray systems, Madison, WIGoogle Scholar
- 3.Sheldrick GM (1997) SHELXS-97, program for the solution of crystal structure. University of Göttingen, GermanyGoogle Scholar
- 4.Sheldrick GM (1997) SHELXL-97, program for the refinement of crystal structure. University of Göttingen, GermanyGoogle Scholar
- 5.SHELXTL 6.1 (PC-Version) (2000) Program library for structure solution and molecular graphics Bruker analytical X-ray systems, Madison, WIGoogle Scholar
- 9.(a) Evans DA, Wu J (2005) J Am Chem Soc 127:8006; (b) Evans DA, Aye Y, Wu J (2006) Org Lett 8:2071Google Scholar