Synthesis, spectral and crystal studies of 2-(4,6-diamino pyrimidin-2-ylthio)-N-m/p-tolyl/3,4-dimethylacetamides


Crystal structure


Heterocyclic molecules always have a demand in medicinal chemistry research. Pyrimidines are interesting and important scaffold for study of biological importance as many essential biomolecules have pyrimidine structure embedded. Pyrimidines are also reported as inhibitors for biological activities like antibacterial, antifungal, anticancer, antiviral, a few to mention. Here we present the synthesis and X-ray crystal structure of the 2-(4,6-diaminopyrimidin-2-ylthio)-N-phenylacetamide derivatives. X-ray diffraction intensity data were collected at room temperature (293K) on a Bruker axs SMART APEXII single crystal X-ray diffractometer equipped with graphite monochromatic Mo Kα (λ=0.71073 Å) radiation and CCD detector. The compound IIIa crystallizes in the monoclinic P21/c space group with four molecules in the unit cell (a=22.857 Å, b=7.4305 Å, c=8.3686 Å, α=90°, β=93.454°, γ=90° and Z=4). The compound IIIb crystallizes in the orthorhombic Pbca space group with eight molecules in the unit cell (a=18.2022 Å, b=7.5132 Å, c=20.0233 Å, α=90°, β=90°, γ=90° and Z=8). The compound IIIc crystallizes in the monoclinic P21/c space group with four molecules in the unit cell (a=24.254 Å, b=7.3424 Å, c=8.4257 Å, α=90°, β=93.282°, γ=90° and Z=4).


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