Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 12 (December 2013)


organic compounds



Acta Cryst. (2013). C69, 1549-1552    [ doi:10.1107/S0108270113031557 ]

Two polymorphs of 2-ethyl-3-hy­droxy-6-methyl­pyridinium hydrogen N-acetyl-L-glutamate from powder diffraction data

V. V. Chernyshev, S. Y. Efimov, K. A. Paseshnichenko and A. A. Shiryaev

Abstract: The title salt, C8H12NO+·C7H10NO5-, crystallizes in two polymorphic modifications, viz. monoclinic (M) and ortho­rhom­bic (O). The crystal structures of both polymorphic modifications have been established from laboratory powder diffraction data. The crystal packing motifs in the two polymorphs are different, but the conformations of the anions are generally similar. In M, the anions are linked by pairs of hydrogen bonds of the N-H...O and O-H...O types into chains along the b-axis direction, and neighbouring mol­ecules within the chain are related by the 21 screw axis. The cations link these chains via O-H...O and N-H...O hydrogen bonds into layers parallel to (001). In O, the anions are linked by O-H...O hydrogen bonds into helices along [001], and neighbouring mol­ecules within the helix are related by the 21 screw axis. The neighbouring helical turns are linked by N-H...O hydrogen bonds. The cations link the helices via O-H...O and N-H...O hydrogen bonds, thus forming a three-dimensional network.

CCDC references: 972743 and 972744

Formula: Two polymorphs of C8H12NO+·C7H10NO5-

Keywords: crystal structure; powder diffraction; polymorphs; hydrogen bonding; anti­hypoxic activity; N-acetyl-L-glutamic acid.


cmldisplay filedownload file

Chemical Markup Language (CML) file (6.8 kbytes)
[ doi:10.1107/S0108270113031557/cu3043Msup4.cml ]
Supplementary material


cmldisplay filedownload file

Chemical Markup Language (CML) file (6.8 kbytes)
[ doi:10.1107/S0108270113031557/cu3043Osup5.cml ]
Supplementary material


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