1,3,3a,5-四苯基-3a,4,5,11-四氢-3H,6H-1,2,4-三唑并[4,3-d][1,5]苯并二氮杂(艹卓)的合成及晶体结构

通过2,4-二苯基-2,3-二氢-1H-1,5-苯并二氮杂(艹卓)与苯甲酰氯苯腙的[2+3]环加成反应制备了标题化合物,用X射线单晶衍射仪测定了其晶体结构.晶体属正交晶系,空间群为Fdd2.晶胞参数:a=1.762 8(4)nm,b=5.751 2(12)nm,c=1.022 7 nm,V=10.368(5)nm3,Z=16,Dc=1.262 g·cm-3,μ=0.075 mm-1,F(000)=4 160,1 139个可观测衍射点,R-0.046 1,Rw=0.056 0.     

1,3,3a,5—四苯基—3a,4,5,11—四氢—3H,6H—1,2,4—三唑并（ …

通过２，４－二苯基－２，３－二氢－１Ｈ－１，５－苯并二氮杂Ｚｕｏ与苯甲酰氯苯腙的（２＋３）环加成反应制备了标题化合物，用Ｘ射线单晶衍射仪测定了其晶体结构，晶体属正交晶系，空间群为Ｆｄｄ２．晶胞参数；ａ＝１．７６２８（４）ｎｍ，ｂ＝５．７５１２（１２）ｎｍ，ｃ＝１．０２２７ｎｍ，Ｖ＝１０．３６８（５）ｎｍ＾３，Ｚ＝１６，Ｄｃ＝１．２６２ｇ．ｃｍ＾－３，μ＝０．０７５ｍｍ＾－１，Ｆ（０００）＝４１６０     

Synthesis and Crystal Structure of a β—Lactam Derivative of 2,4—Diary

１ＩＮＴＲＯＤＵＣＴＩＯＮ１,５ｂｅｎｚｏｔｈｉａｚｅｐｉｎｅｓｐｏｓｅｓｐｏｔｅｎｔｉａｌｂｉｏｌｏｇｉｃａｌａｃｔｉｖｉｔｉｅｓ〔１〕．ＣｙｃｌｏａｄｄｉｔｉｏｎｒｅａｃｔｉｏｎｓａｔｔｈｅｉｒＣ＝Ｎｄｏｕｂｌｅｂｏｎｄｈａｖｅａｒｏｕｓｅｄｃ...     

Crystal Structure of 2—[（P,P—Diphenoxy）phosphono（p—methyl）benzyl]—1,2—

The crystal structure of the title compound 2-[(P, P-Diphenoxy)phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one, C27H22NO4PSe, was determined by single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P(No. 2) with Mr=534.41, a=9.761(2), b=10.304(2), c=13.396(3), α=110.97(3), β=107.70(3). γ=90.02(3)°, V=1190(1) 3, Z=2, Dx=1.492 g/cm3, λ=0.71073, μ=1.6596 mm-1 and F(000)=544. The structure was solved by direct methods. The final R factor is 0.068 and Rw is 0.074 for 2500 unique observed reflections [I≥3σ(I)]. The results presented herein indicate that the selenium-containing bicyclic moiety is a coplanar structure and that two adjacent molecules are symmetrically linked to each other forming a dimer through the Se(1c)...O=P(1) bonding interaction with an intermolecular Se(1c)...O distance of 2.797 .     

Crystal Structure of Copper（ Ⅱ）Complex with 3—Hydroxyl—1,5—diazaylo

Crystal structure of copper (II) complex with a new aminocarboxylate ligand, 3-hydroxyl-1, 5-diazacycloheptane-N,N-diacetate, C9H14CuN2O5.H2O, Mr=311.78 is reported. It crystallizes in orthorhombic Pna21 with a=13.340(4), b=8.127(1), c=10.583(4) , V=1147.2(7)3 , Z=4, Dc=1.805g/cm3, μ=19.287cm-1 (MoKα), F(000)=644. The final R and Rw are 0.049 and 0.065 for 888 observed reflections with I≥3σ(I). The result of X-ray structure determination shows that the Cu(Ⅱ) forms a planar complex with two oxygen atoms and two nitrogen atoms of the ligand.