Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 3 (March 2008)

organic compounds

Acta Cryst. (2008). C64, o145-o148 [ doi:10.1107/S0108270108003132 ]

Hydrogen-bonded ribbons in ethyl (E)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate and 2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile

J. Trilleras, J. N. Low, J. Cobo, A. Marchal and C. Glidewell

Abstract: The pyrimidine rings in ethyl (E)-3-[2-amino-4,6-bis(dimethylamino)pyrimidin-5-yl]-2-cyanoacrylate, C₁₄H₂₀N₆O₂, (I), and 2-[(2-amino-4,6-di-1-piperidylpyrimidin-5-yl)methylene]malononitrile, C₁₈H₂₃N₇, (II), which crystallizes with Z' = 2 in the $P \overline 1$ space group, are both nonplanar with boat conformations. The molecules of (I) are linked by a combination of N-HN and N-HO hydrogen bonds into chains of edge-fused R₂²(8) and R₄⁴(20) rings, while the two independent molecules in (II) are linked by four N-HN hydrogen bonds into chains of edge-fused R₂²(8) and R₂²(20) rings. This study illustrates both the readiness with which highly-substituted pyrimidine rings can be distorted from planarity and the significant differences between the supramolecular aggregation in two rather similar compounds.

Formula: C₁₄H₂₀N₆O₂ and C₁₈H₂₃N₇


	Structure factor file (CIF format) (170.1 kbytes) [ doi:10.1107/S0108270108003132/sk3200Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (495.7 kbytes) [ doi:10.1107/S0108270108003132/sk3200IIsup3.hkl ] Contains datablock II

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