《Synthesis and Crystal Structure of 2-(4#39;-Methylphenoxy)-5,8,9-trimethyl-3-phenyl Thieno[3#39;,2#39;5,6]pyrido[4,3-d]pyrimidin-4-(3H)-one Hydrochloride》.pdfVIP

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《Synthesis and Crystal Structure of 2-(4#39;-Methylphenoxy)-5,8,9-trimethyl-3-phenyl Thieno[3#39;,2#39;5,6]pyrido[4,3-d]pyrimidin-4-(3H)-one Hydrochloride》.pdf

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《SynthesisandCrystalStructureof2-(4amp;#39;-Methylphenoxy)-5,8,9-trimethyl-3-phenylThieno[3amp;#39;,2amp;#39;5,6]pyrido[4,3-d]pyrimidin-4-(3H)-oneHydrochloride》.pdf

25 卷 5 期 JIEGOU HUAXUE Vol. 25, No. 5 2006. 5 Chinese J. Struct. Chem. 577~581 Synthesis and Crystal Structure of 2-(4’-Methylphenoxy)-5,8,9-trimethyl- 3-phenyl Thieno[3′,2′:5,6]pyrido[4,3- d]pyrimidin-4-(3H)-one Hydrochloride LIU Jian-Chao HE Hong-Wu DING Ming-Wu (College of Chemistry, Central China Normal University, Wuhan 430079, China) ABSTRACT The title compound 2-(4′-methylphenoxy)-5,8,9-trimethyl-3-phenyl thieno[3′,2′:5,6] pyrido[4,3-d]pyrimidin-4(3H)-one hydrochloride (C H Cl N O S, M = 583.33) has been deter- 26 23 4 3 2 r mined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 14.8442(11), b = 11.5131(8), c = 17.2010(13) Å, β = 113.7250(10)º, V = 2691.3(3) Å3, Z = 4, Dc 3 –1 = 1.440 g/cm , S = 1.094, µ = 0.547 mm , F(000) = 1200, the final R = 0.0571 and wR = 0.1458. X-ray analysis reveals that the title compound combines with a molecule of dichloromethane by an intramolecular hydrogen bond. The thienopyridine ring is almost coplanar, and the dihedral angle between the thiophene plane and the pyridine plane is 0.6º. Keywords: thieno[3′,2′:5,6]pyrido[4,3-d]pyrimidin-4(3H)-one, triphenylphosphine, iminophosphorane, crystal structure 1 INTRODUCTION conditions by means of aza-Wittig