Abstract
The 2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-1,4,5,6-tetrahydro-4H-pyrano[2,3-d] pyrimidine (1, C17H15Cl2N5O3) was synthesized and characterized by IR,1H NMR and elemental analysis. The molecular structure of1 was further studied by using X-ray crystallography. The crystals of compound1 are triclinic, space groupP-1,a = 6.0090(4) Å,b = 10.4056(7) Å,c = 15.6021(11) Å, α = 70.983(4), β = 84.056(6), γ = 84.611(6),Z = 2,V = 915.47(11) Å3. Two types of unclassical hydrogen bonds C–H⋅sO and C–H⋅sN were presented in the crystals. In addition, there were classical hydrogen bonds in the crystal structure.
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Wang, XS., Zeng, ZS., Shi, DQ. et al. Unclassical hydrogen bonds of C—H⋅sO and C—H⋅sN in the crystals of 2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-1,4,5,6-tetrahydro-4H-pyrano[2,3-d]pyrimidine. J Chem Crystallogr 35, 999–1004 (2005). https://doi.org/10.1007/s10870-005-5838-9
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DOI: https://doi.org/10.1007/s10870-005-5838-9