Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 1 (January 2009)

organic compounds

 

2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine and 2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine are isostructural and form hydrogen-bonded sheets of R₂²(8) and R₆⁶(32) rings

J. Trilleras, J. Quiroga, J. Cobo and C. Glidewell

Abstract: 2-Amino-4-chloro-5-formyl-6-[methyl(2-methylphenyl)amino]pyrimidine, C₁₃H₁₃ClN₄O, (I), and 2-amino-4-chloro-5-formyl-6-[(2-methoxyphenyl)methylamino]pyrimidine, C₁₃H₁₃ClN₄O₂, (II), are isostructural and essentially isomorphous. Although the pyrimidine rings in each compound are planar, the ring-substituent atoms show significant displacements from this plane, and the bond distances provide evidence for polarization of the electronic structures. In each compound, a combination of N-HN and N-HO hydrogen bonds links the molecules into sheets built from centrosymmetric R₂²(8) and R₆⁶(32) rings. The significance of this study lies in its observation of the isostructural nature of (I) and (II), and in the comparison of their crystal and molecular structures with those of analogous compounds.

Formula: C₁₃H₁₃ClN₄O and C₁₃H₁₃ClN₄O₂

	Structure factor file (CIF format) (144.6 kbytes) [ doi:10.1107/S0108270108040481/sk3279Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (148.6 kbytes) [ doi:10.1107/S0108270108040481/sk3279IIsup3.hkl ] Contains datablock II

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