title: Crystal structure and solution state characterization of lithium (S)-(1-(bis(2-methoxyethyl)amino)-3-methylbutan-2-yl)(methyl)amide.
abstract: The solid state structure of lithiated (S)-N(1),N(1)-bis(2-methoxyethyl)-N(2),3-dimethylbutane-1,2-diamine, which is a chiral amide base synthesized from (S)-valine was determined by single-crystal X-ray diffraction. The complex in solution state is also characterized by a variety of NMR experiments including diffusion-ordered NMR spectroscopy (DOSY) with diffusion coefficient-formula weight correlation analyses and other one- and two-dimensional NMR techniques by dissolving the crystal in toluene-d8. The crystallography and NMR results suggest that the chiral amide is dimeric in both solid and solution states.
authors.affiliation: Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
authors.forename: Chicheung
authors.initials: C
authors.lastname: Su
authors.forename: Russell
authors.initials: R
authors.lastname: Hopson
authors.forename: Paul G
authors.initials: PG
authors.lastname: Williard
mesh_terms: D018360:Crystallography, X-Ray; D003959:Diamines / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D012996:Solutions
chemical_list: D003959:Diamines; D009942:Organometallic Compounds; D012996:Solutions