2-Cyano-N-(2,6-dimethoxypyrimidin-4-yl)-3-[4-(dimethylamino)phenyl]acrylamide and dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-8-ide: a ?-stacked dimer and a hydrogen-bonded ribbon containing three types of ring

Quiroga, Jairo, Gálvez, Jaime, Hursthouse, Michael B., Cobo, Justo and Glidewell, Christopher (2010) 2-Cyano-N-(2,6-dimethoxypyrimidin-4-yl)-3-[4-(dimethylamino)phenyl]acrylamide and dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-8-ide: a ?-stacked dimer and a hydrogen-bonded ribbon containing three types of ring. Acta Crystallographica Section C: Crystal Structure Communications, 66 (1), o39-o43. (doi:10.1107/S0108270109053785).

Abstract

The bond distances in 2-cyano-N-(2,6-dimethoxypyrimidin-4-yl)-3-[4-(dimethylamino)phenyl]acrylamide, C(18)H(19)N(5)O(3), (I), and in the anionic component of the salt dimethylammonium 6-cyano-1,3-dimethyl-2,4,5-trioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidin-8-ide, C(2)H(8)N(2)(+)center dot C(10)H(7)N(4)O(3)(-), (II), provide evidence for the occurrence of electronic polarization. There are no hydrogen bonds in the structure of (I), instead pairs of molecules are linked into centrosymmetric dimers by a single pi-pi stacking interaction. In (II), a combination of a two-centre N-H center dot center dot center dot O hydrogen bond, a three-centre N-H center dot center dot center dot(O)(2) hydrogen bond, together utilizing all three O atoms, and a two-centre C-H center dot center dot center dot N hydrogen bond, link the components into a ribbon containing R(1)(2)(6), R(2)(2)(10) and R(6)(6)(30) rings.

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