The title compound 3-benzyl-5-cyclohexylamino-6-phenyl-3,6-dihydro-1,2,3- triazolo[4,5-d]pyrimidin-7-one (C23H24N6O, Mr = 400.48) has been synthesized by means of tandem aza-Wittig reaction, and its crystal structur...The title compound 3-benzyl-5-cyclohexylamino-6-phenyl-3,6-dihydro-1,2,3- triazolo[4,5-d]pyrimidin-7-one (C23H24N6O, Mr = 400.48) has been synthesized by means of tandem aza-Wittig reaction, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 6.5550(6), b = 10.3711(10), c = 31.265(3) ?, β = 93.827(2)o,V = 2120.8(4) ?3, Z = 4, Dc = 1.254 g/cm3, S = 1.025, μ(MoKa) = 0.081 mm-1, F(000) = 848, R = 0.0576 and wR = 0.1368. X-ray analysis reveals that all ring atoms in the triazolopyrimidinone moiety are almost coplanar and the cyclohexyl ring adopts a chair confor- mation.展开更多
基金The project was supported by the National Key Project for Basic Research (2003CB114400 2003CB114406) and National Natural Science Foundation of China (20102001)
文摘The title compound 3-benzyl-5-cyclohexylamino-6-phenyl-3,6-dihydro-1,2,3- triazolo[4,5-d]pyrimidin-7-one (C23H24N6O, Mr = 400.48) has been synthesized by means of tandem aza-Wittig reaction, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 6.5550(6), b = 10.3711(10), c = 31.265(3) ?, β = 93.827(2)o,V = 2120.8(4) ?3, Z = 4, Dc = 1.254 g/cm3, S = 1.025, μ(MoKa) = 0.081 mm-1, F(000) = 848, R = 0.0576 and wR = 0.1368. X-ray analysis reveals that all ring atoms in the triazolopyrimidinone moiety are almost coplanar and the cyclohexyl ring adopts a chair confor- mation.
