Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 12 (December 2012)

organic compounds

uk3056 scheme

Acta Cryst. (2012). C68, o498-o501    [ doi:10.1107/S010827011204810X ]

L-Leucylglycine 0.67-hydrate and [(4S)-2,2-dimethyl-4-(2-methyl­propyl)-5-oxoimidazolidin-3-ium-1-yl]acetate

T. Kiyotani and Y. Sugawara

Abstract: Crystals of L-leucylglycine (L-Leu-Gly) 0.67-hydrate, C8H16N2O3·0.67H2O, (I), were obtained from an aqueous solution. There are three symmetrically independent dipeptide zwitterionic mol­ecules in (I) and they are parallel to one another. The hydrogen-bond network composed of carboxyl­ate and amino groups and water mol­ecules extends parallel to the ab plane. Hydro­philic regions composed of main chains and hydro­phobic regions composed of the isobutyl groups of the leucyl residues are aligned alternately along the c axis. An imidazolidinone derivative was obtained from L-Leu-Gly and acetone, viz. [(4S)-2,2-dimethyl-4-(2-methyl­prop­yl)-5-oxo­imid­azolidin-3-ium-1-yl]acetate, C11H20N2O3, (II), and was crystallized from a methanol-acetone solution of L-Leu-Gly. The unit-cell parameters coincide with those reported previously for L-Leu-Gly dihydrate revealing that the previously reported values should be assigned to the structure of (II). One of the imidazolidine N atoms is protonated and the ring is nearly planar, except for the protonated N atom. Protonated N atoms and deprotonated carb­oxy groups of neighbouring mol­ecules form hydrogen-bonded chains. The ring carbonyl group is not involved in hydrogen bonding.

Formula: 3C8H16N2O3·2H2O and C11H20N2O3

moldisplay filedownload file

MDL mol file (9.0 kbytes)
[ doi:10.1107/S010827011204810X/uk3056Isup4.mol ]
Supplementary material

moldisplay filedownload file

MDL mol file (3.6 kbytes)
[ doi:10.1107/S010827011204810X/uk3056IIsup5.mol ]
Supplementary material

cmldisplay filedownload file

Chemical Markup Language (CML) file (5.4 kbytes)
[ doi:10.1107/S010827011204810X/uk3056IIsup6.cml ]
Supplementary material


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