Crystal structures of 3-[1-Benzenesulfonyl-3-phenylsulfanyl-1H-indol-2-yl]-1-[4-(methyl (I)/methoxy (II) phenyl)]-2-phenyl-propane-1-one

被引:0
作者
K. Palani
N. Sureshbabu
P. C. Srinivasan
M. Nethaji
M. N. Ponnuswamy
机构
[1] University of Madras,Department of Crystallography and Biophysics
[2] Guindy Campus,Department of Organic Chemistry
[3] University of Madras,Department of Inorganic and Physical Chemistry
[4] Guindy Campus,undefined
[5] Indian Institute of Science,undefined
来源
Journal of Chemical Crystallography | 2006年 / 36卷
关键词
Crystal structure; indole derivatives; conformation; hydrogen bonding;
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摘要
The compounds 3-(1-Benzenesulfonyl-3-phenylsulfanyl-1H-indol-2-yl)-1-[4-methyl (I)/methoxy (II)phenyl)]-2-phenyl-propane-1-one crystallize in triclinic space group P\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\bar 1$$\end{document}. The details are: compound Ia = 11.941(6) Å, b = 12.154(7) Å, c = 13.006(7) Å, α = 63.124(8)°, β = 84.464(9)°, γ = 64.810(8)°, V = 1519.7(14) Å3, Z = 2, Dcal = 1.284 Mg m−3, and R = 0.0382 (wR = 0.0978); compound IIa = 11.897(6) Å, b = 12.268(6) Å, c = 13.001(7) Å, α = 61.919(8)°, β = 83.480(8)°, γ = 64.676(7)°, V = 1504.0(14) Å3, Z = 2, Dcal = 1.333 Mg m−3, and R = 0.0422 (wR = 0.1049). The indole ring system in both the molecules I and II are not strictly planar and the dihedral angles formed by the pyrrole and benzo planes are 4.0(7)° and 3.5(8)°, respectively. The C–H\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\cdots $$\end{document}O, C–H\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\cdots $$\end{document}π and π\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\cdots $$\end{document}π types of interactions stabilize the molecules in the unit cell in addition to van der Waal's forces in I and II.
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页码:349 / 355
页数:6
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