Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 4 (April 2009)

organic compounds

Acta Cryst. (2009). C65, o134-o139 [ doi:10.1107/S0108270109005514 ]

Four 7-aryl-substituted pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones: similar molecular structures but different crystal structures

J. Trilleras, J. Quiroga, J. Cobo, M. B. Hursthouse and C. Glidewell

Abstract: Molecules of 1,3-dimethyl-7-(4-methylphenyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, C₁₆H₁₅N₃O₂, (I), are linked by paired C-HO hydrogen bonds to form centrosymmetric R₂²(10) dimers, which are linked into chains by a single [pi] - [pi] stacking interaction. A single C-HO hydrogen bond links the molecules of 7-(biphenyl-4-yl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, C₂₁H₁₇N₃O₂, (II), into C(10) chains, which are weakly linked into sheets by a [pi] - [pi] stacking interaction. In 7-(4-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, C₁₄H₁₀FN₃O₂, (III), an N-HO hydrogen bond links the molecules into C(6) chains, which are linked into sheets by a [pi] - [pi] stacking interaction. The molecules of 7-(4-methoxyphenyl)-3-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, C₁₅H₁₃N₃O₃, (IV), are also linked into C(6) chains by an N-HO hydrogen bond, but here the chains are linked into sheets by a combination of two independent C-H [pi] (arene) hydrogen bonds.

Formula: C₁₆H₁₅N₃O₂, C₂₁H₁₇N₃O₂, C₁₄H₁₀FN₃O₂ and C₁₅H₁₃N₃O₃


	Structure factor file (CIF format) (146.7 kbytes) [ doi:10.1107/S0108270109005514/fa3182Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (177.2 kbytes) [ doi:10.1107/S0108270109005514/fa3182IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (75.9 kbytes) [ doi:10.1107/S0108270109005514/fa3182IIIsup4.hkl ] Contains datablock III

	Structure factor file (CIF format) (71.0 kbytes) [ doi:10.1107/S0108270109005514/fa3182IVsup5.hkl ] Contains datablock IV

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