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By Xiao-hua Zeng, A Xiao-ling Liu, A Shou-heng Deng, B Ping, Chen B and Hong-mei Wang A


R factor = 0.082; wR factor = 0.188; data-to-parameter ratio = 13.4. In the title compound, C19H16ClN5O2, the triazolopyrimidine ring system is essentially planar, with a maximum displacement of 0.021 (4) A ˚ , and forms dihedral angles of 1.09 (9) and 87.74 (9) with the phenyl and benzene rings, respectively. Short intramolecular C—H O and C—H N hydrogenbonding interactions occur within the molecule. In the crystal structure, molecules are linked by intermolecular C—H O hydrogen bonds into chains parallel to the b axis. In addition, – stacking interactions involving the triazole and pyrimidine rings of adjacent molecules are observed, with centroid– centroid distances of 3.600 (3) A ˚. Related literature For the biological activity of 8-azaguanine derivatives, see

Topics: wR(F 2) = 0.188
Year: 2009
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