Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 5 (May 2002)

Acta Cryst. (2002). C58, o289-o294 [doi:10.1107/S0108270102005632]

Hydrogen bonding in 2-amino-4,6-dimethoxypyrimidine, 2-benzylamino-4,6-bis(benzyloxy)pyrimidine and 2-amino-4,6-bis(N-pyrrolidino)pyrimidine: chains of fused rings and a centrosymmetric dimer

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

Abstract: Molecules of 2-amino-4,6-dimethoxypyrimidine, C₆H₉N₃O₂, (I), are linked by two N-HN hydrogen bonds [HN 2.23 and 2.50 Å, NN 3.106 (2) and 3.261 (2) Å, and N-HN 171 and 145°] into a chain of fused rings, where alternate rings are generated by centres of inversion and twofold rotation axes. Adjacent chains are linked by aromatic [bold pi] --stacking interactions to form a three-dimensional framework. In 2-benzylamino-4,6-bis(benzyloxy)pyrimidine, C₂₅H₂₃N₃O₂, (II), the molecules are linked into centrosymmetric R ${_2^2}$ (8) dimers by paired N-HN hydrogen bonds [HN 2.13 Å, NN 2.997 (2) Å and N-HN 170°]. Molecules of 2-amino-4,6-bis(N-pyrrolidino)pyrimidine, C₁₂H₁₉N₅, (III), are linked by two N-HN hydrogen bonds [HN 2.34 and 2.38 Å, NN 3.186 (2) and 3.254 (2) Å, and N-HN 163 and 170°] into a chain of fused rings similar to that in (I).

Formula: C₆H₉N₃O₂, C₂₅H₂₃N₃O₂ and C₁₂H₁₉N₅

Online 30 April 2002


	Structure factor file (CIF format) (81.0 kbytes) Contains datablock I

	Structure factor file (CIF format) (234.4 kbytes) Contains datablock II

	Structure factor file (CIF format) (122.2 kbytes) Contains datablock III

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