| Crystal and Molecular Structure of 2-(2-Methoxycarboxyl)phenyloxy-5 ,7-dim ethyl-1 ,2 ,4-triazolo〔1 ,5-a〕pyrimidine |
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| 引用本文： | YANG,Guang,Fu,②.Crystal and Molecular Structure of 2-(2-Methoxycarboxyl)phenyloxy-5 ,7-dim ethyl-1 ,2 ,4-triazolo〔1 ,5-a〕pyrimidine[J].结构化学,1999(5). |
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| 作者姓名： | YANG Guang Fu ② |
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| 作者单位： | YANG Guang Fu ② (Institute of Organic Synthesis，Central China Normal University，Wuhan 430079 ) FEI Xue Ning YANG Hua Zheng (Institute of Elemento Organic Chemistry，Nankai University，Tianjin 300071) |
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| 摘 要： | １ ＩＮＴＲＯＤＵＣＴＩＯＮＩｔｗａｓｒｅｐｏｒｔｅｄｔｈａｔｔｈｅｈｅｔｅｒｏｃｙｃｌｉｃｃｏｍｐｏｕｎｄｓｃｏｎｔａｉｎｉｎｇ１，２，４ｔｒｉａｚｏｌｏ〔１，５ａ〕ｐｙｒｉｍｉｄｉｎｙｌｄｉｓｐｌａｙｅｄｐｏｔｅｎｔｉａｌｂｉｏｌｏｇｉｃａｌａｃｔｉｖｉｔｉｅｓ〔１，２〕．Ｈｏｗｅｖｅｒ，ｔｈｅｈｅｒｂｉｃｉｄａｌａｃｔｉｖｉｔｙｏｆｔｈｅ（ｔｈｉｏ）ｅｔｈｅｒｄｅｒｉｖａｔｉｖｅｓｏｆ１，２，４ｔｒｉａｚｏｌｏ〔１，５ａ〕ｐｙｒｉｍｉｄｉｎｅｗａｓｒａｒｅｌｙｒｅｐｏｒｔｅｄ〔…
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| 关 键 词： | crystal structure 1 2 4 triazolo〔1 5 a〕pyrimidine compound biological activity |
Crystal and Molecular Structure of 2 (2 Methoxycarboxyl) phenyloxy 5,7 dimethyl 1,2,4 triazolo〔1,5 a〕pyrimidine |
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| Abstract: | The crystal structure of the title compound has been determined by single crystal X ray diffraction analysis. C 15 H 14 N 4O 3, M r =298.30, monoclinic, space group P2 1/n, a=9.483(9), b=11.078(9), c=13.700(9), β=100.19(7)°, V=1417(4) 3, Z=4, D x =1.399 g.cm -3 , μ =0.0942 mm -1 ; F (000)=624, final R =0.074 and R w =0.074 for 1502 observed reflections〔 I≥3σ(I )〕. The results show that all ring atoms in the triazolopyrimidinyl moiety were coplanar with strong tensile force, which might be an important active site. |
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| Keywords: | crystal structure 1 2 4 triazolo〔1 5 a〕pyrimidine compound biological activity |
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