Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 1 (January 2003)

organic compounds

Acta Cryst. (2003). C59, o9-o13 [ doi:10.1107/S0108270102020206 ]

Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: -stacked chains of fused R₂²(8) rings, and centrosymmetric R₂²(8) dimers

C. Glidewell, J. N. Low, M. Melguizo and A. Quesada

Abstract: Molecules of 2-amino-4-methoxy-6-methylpyrimidine, C₆H₉N₃O, (I), lie on mirror planes in space group Pnma and are linked by two N-HN hydrogen bonds [HN = 2.26 and 2.34 Å, NN = 3.136 (2) and 3.212 (2) Å, and N-HN = 175 and 172°] into chains of edge-fused R(8) rings, which themselves are linked into sheets by aromatic [pi] - [pi] -stacking interactions. In 2-benzylamino-4-benzyloxy-6-methylpyrimidine, C₁₉H₁₉N₃O, (II), and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine, C₂₅H₂₃N₃O₂, (III), the molecules are linked by paired N-HN hydrogen bonds [HN = 2.16 Å, NN = 3.039 (2) Å and N-HN = 165° in (II); HN = 2.15 Å, NN = 2.980 (2) Å and N-HN = 176° in (III)] into centrosymmetric R(8) dimers, with no direction-specific interactions between these dimeric units.

Formula: C₆H₉N₃O, C₁₉H₁₉N₃O and C₂₅H₂₃N₃O₂


	Structure factor file (CIF format) (39.8 kbytes) Contains datablock I

	Structure factor file (CIF format) (179.9 kbytes) Contains datablock II

	Structure factor file (CIF format) (229.9 kbytes) Contains datablock III

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