caa a22 4500 46318436X CHVBK 20180406164848.0 cr unu---uuuuu 170326e20071201xx s 000 0 eng 10.1007/s10870-007-9255-0 doi (NATIONALLICENCE)springer-10.1007/s10870-007-9255-0 Crystal Structures of Hexameric and Dimeric Complexes of Lithioisobutyrophenone [Elektronische Daten] [Michael Nichols, Christina Leposa, Allen Hunter, Matthias Zeller] The crystal structures of two unsolvated hexameric complexes and one N,N,N′,N′-tetramethyl-1,2-ethanediamine (TMEDA)-solvated dimeric complex of the lithium enolate of 2-methyl-1-phenyl-1-propanone (lithioisobutyrophenone, LiIBP) are reported. The unsolvated LiIBP complexes crystallize from benzene-d 6 to yield two different types of crystals that have similar structures: one in the triclinic space group P-1 with a=10.7944(7), b=11.9350(8), c=12.0956(8) Å; α=117.5560(10), β=100.8090(10), γ=92.3030(10)° and Z=1 and a second in the monoclinic space group C2/c with a=17.6011(11), b=14.7389(9), c=21.0943(13) Å; β=105.2510(10)° and Z=4. The two LiIBP hexamers differ slightly in the conformations of the enolate moieties around the Li6O6 core. The hexamer in both the triclinic as well as the monoclinic polymorph is located on a crystallographic inversion center that each generates the other half of the cluster. The TMEDA-solvated LiIBP dimer crystallizes from hexanes in the monoclinic space group C2/c with a=11.8472(6), b=14.8268(7), c=19.2719(9) Å; β=98.8480(10)° and Z=4. The center of the dimer is located on a crystallographic C2 axis. These complexes represent only the second reported crystal structures of either an unsolvated hexamer or a solvated dimer of a lithium enolate of a simple monocarbonyl ketone. Graphical Abstract: The X-ray crystal structures of two unsolvated hexameric and one N,N,N′,N′-tetramethyl-1,2-ethanediamine (TMEDA)-solvated complexes of the lithium enolate of 2-methyl-1-phenyl-1-propanone (lithioisobutyrophenone, LiIBP) are reported. Springer Science+Business Media, LLC, 2007 Crystal structure nationallicence Lithioisobutyrophenone nationallicence Lithium enolate nationallicence LiIBP complexes nationallicence Nichols Michael Department of Chemistry, John Carroll University, 20700 North Park Blvd, 44118, University Heights, OH, USA aut Leposa Christina Department of Chemistry, John Carroll University, 20700 North Park Blvd, 44118, University Heights, OH, USA aut Hunter Allen Department of Chemistry, Youngstown State University, 44555, Youngstown, OH, USA aut Zeller Matthias Department of Chemistry, Youngstown State University, 44555, Youngstown, OH, USA aut Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/12(2007-12-01), 825-829 1074-1542 37:12<825 2007 37 10870 https://doi.org/10.1007/s10870-007-9255-0 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10870-007-9255-0 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Nichols Michael Department of Chemistry, John Carroll University, 20700 North Park Blvd, 44118, University Heights, OH, USA aut NATIONALLICENCE 700 1- Leposa Christina Department of Chemistry, John Carroll University, 20700 North Park Blvd, 44118, University Heights, OH, USA aut NATIONALLICENCE 700 1- Hunter Allen Department of Chemistry, Youngstown State University, 44555, Youngstown, OH, USA aut NATIONALLICENCE 700 1- Zeller Matthias Department of Chemistry, Youngstown State University, 44555, Youngstown, OH, USA aut NATIONALLICENCE 773 0- Journal of Chemical Crystallography Springer US; http://www.springer-ny.com 37/12(2007-12-01), 825-829 1074-1542 37:12<825 2007 37 10870 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer