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
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作者
Palani, K.
Sureshbabu, N.
Srinivasan, P. C.
Nethaji, M.
Ponnuswamy, M. N.
机构
[1] Univ Madras, Dept Crystallog & Biophys, Madras 600025, Tamil Nadu, India
[2] Univ Madras, Dept Organ Chem, Madras 600025, Tamil Nadu, India
[3] Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, Karnataka, India
关键词
crystal structure; indole derivatives; conformation; hydrogen bonding;
D O I
10.1007/s10870-006-9073-9
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
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 (1) over bar. The details are: compound I a = 11.941(6) angstrom, b = 12.154(7) angstrom, c = 13.006(7) angstrom, a = 63.124(8)degrees, beta = 84.464(9)degrees, gamma = 64.810(8)degrees, V = 1519.7(14) angstrom(3), Z = 2, D-cal = 1.284 Mg m(-3), and R = 0.0382 (wR = 0.0978); compound II a = 11.897(6) angstrom, b = 12.268(6) angstrom, c = 13.001(7) angstrom, alpha = 61.919(8)degrees, beta = 83.480(8)degrees, gamma = 64.676(7)degrees, V = 1504.0(14) angstrom(3), Z = 2, D-cal = 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)degrees and 3.5(8)degrees, respectively. The C-H center dot center dot O, C-H center dot center dot center dot pi and pi center dot center dot center dot pi types of interactions stabilize the molecules in the unit cell in addition to van der Waal's forces in I and II.
引用
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页码:349 / 355
页数:7
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