Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 12 (December 2007)


organic compounds



sk3172 scheme

Acta Cryst. (2007). C63, o697-o700    [ doi:10.1107/S0108270107049931 ]

A three-dimensional hydrogen-bonded framework in 2-amino-6-(N-methylanilino)pyrimidin-4(3H)-one and a ribbon of fused hydrogen-bonded rings in 2-amino-6-(N-methylanilino)-5-nitropyrimidin-4(3H)-one

R. Rodríguez, J. Cobo, M. Nogueras, J. N. Low and C. Glidewell

Abstract: The molecular dimensions of both 2-amino-6-(N-methylanilino)pyrimidin-4(3H)-one, C11H12N4O, (I), and 2-amino-6-(N-methylanilino)-5-nitropyrimidin-4(3H)-one, C11H11N5O3, (II), are consistent with considerable polarization of the molecular-electronic structures. The molecules of (I) are linked into a three-dimensional framework by a combination of one N-H...N hydrogen bond, two independent N-H...O hydrogen bonds and one C-H...[pi](arene) hydrogen bond. The molecules of (II) are linked into ribbons containing three types of edge-fused ring by the combination of two independent three-centre N-H...(O)2 hydrogen bonds.

Formula: C11H12N4O and C11H11N5O3


hkldisplay filedownload file

Structure factor file (CIF format) (117.8 kbytes)
[ doi:10.1107/S0108270107049931/sk3172Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (71.4 kbytes)
[ doi:10.1107/S0108270107049931/sk3172IIsup3.hkl ]
Contains datablock II


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