Synthesis and Crystal Structure of 2-(4-Nitrophenyl)-1,2-benzisoselenazol-3(2H)-one DMF (1:1) Solvate  

作　　者：李好样 韩红斐 李文娟 魏学红 

机构地区：[1]Department of Chemistry, Taiyuan Normal University [2]Institute of Applied Chemistry, Shanxi University

出　　处：《Chinese Journal of Structural Chemistry》2012年第6期910-914,共5页结构化学（英文）

基　　金：carried out under the sponsorship of the project of Shanxi Scientific Technology(No.20110321044)

摘　　要：The title compound （C13HsN203Se＇C3H7NO） has been synthesized by a simple synthetic route and by recrystallization from DMF. The molecular structure of this compound was obtained by single-crystal X-ray diffraction. The compound crystallized in the triclinic space group Pi with a = 7.450（6）, b = 8.150（7）, c = 13.859（12） A, α = 75.014（14）, β = 83.072（18）, γ = 84.409（14）°, V= 805.0（12） A3, Z = 2 and R = 0.0271 for 2575 observed reflections with I 〉 2σ（I）. X-ray analysis reveals that not only intermolecular Se...O and C-H...O interactions, but also π...π stacking interactions exist in the adjacent molecules. The above three kinds of intermolecular interactions extend the complex into an infinite three-dimensional layered network.The title compound （C13HsN203Se＇C3H7NO） has been synthesized by a simple synthetic route and by recrystallization from DMF. The molecular structure of this compound was obtained by single-crystal X-ray diffraction. The compound crystallized in the triclinic space group Pi with a = 7.450（6）, b = 8.150（7）, c = 13.859（12） A, α = 75.014（14）, β = 83.072（18）, γ = 84.409（14）°, V= 805.0（12） A3, Z = 2 and R = 0.0271 for 2575 observed reflections with I 〉 2σ（I）. X-ray analysis reveals that not only intermolecular Se...O and C-H...O interactions, but also π...π stacking interactions exist in the adjacent molecules. The above three kinds of intermolecular interactions extend the complex into an infinite three-dimensional layered network.

关 键 词：synthesis crystal structure intermolecular interaction 

分 类 号：O625.61[理学—有机化学]