【摘 要】
：
The crystal structure of the new title compound 3-(4-chlorophenyl)-8-eyano-2-(di-iso- propylamino)-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidine-4(3H)-one (C2
【机 构】
：
Key Laboratory of Pesticide & Chemical Biology of Ministry of Education,Key Laboratory of Biopestici
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The crystal structure of the new title compound 3-(4-chlorophenyl)-8-eyano-2-(di-iso- propylamino)-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidine-4(3H)-one (C22H24CIN5OS, Mγ=441.97)has been determined by single-crystal X-ray diffraction.The crystal is of orthorhombic, space group Pna21 with a=7.6721(5), b=18.9370(11), c=15.6260(9) (A), V=2270.2(2) (A)3, Z=4, Dc=1.293 g/cm3,F(000)=928,μ=0.283 mm-1, MoKa radiation (λ=0.71073 A), R=0.0494 and wR=0.1062 for 3278 observed reflections with I＞20(I). X-ray diffraction analysis reveals that all ring atoms in the pyare found in the pyridopyrimidinone moiety are almost coplanar. Intramolecular C(20)-H(20)…N(4), C(19)-H(19A)…N(3), C(18)-H(18C)…N(3) and C(16)-H(16B)…O(5) hydrogen bonds together with weak C…π interactions are found in the structure.
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