X-ray crystallographic studies of tricarbonylchromium complexes of calix[4]arene conformers: On an unusual conformation which appears in cone conformers |
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| Authors: | Hideshi Iki Taketoshi Kikuchi Hirohisa Tsuzuki Seiji Shinkai |
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| Institution: | (1) Department of Organic Synthesis, Faculty of Engineering, Kyushu University, 812 Fukuoka, Japan;(2) Center of Advanced Instrumental Analysis, Kyushu University, Kasuga, 816 Fukuoka, Japan |
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| Abstract: | The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix4]arene(1) and Cr(CO)6 were determined by single crystal X-ray studies. Crystal data for 1,3-alternate-1·Cr(CO)3 are space groupP21/a,a=19.496(3)Å,b=11.118(2)Å,c=19.121(2)Å,  =109.95°(1) andV=3895Å3. The structure was refined toRw=0.068. Crystal data for cone-1·Cr(CO)3 are space groupP21/a,a=21.457(4)Å,b=12.184(1)Å,c=14.816(2)Å, =91.61°(1) andV=3872Å3. The structure was refined toRw=0.077. Crystal data for cone-1·2Cr(CO)3 are space groupP21/a,a=18.019(3)Å,b=41.347(4)Å,c=11.743(2)Å, =97.39°(1) andV=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined toRw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix4]arene. In contrast, cone-1·Cr(CO)3 and cone-1·2Cr(CO)3 show an unusual conformation with a pair of faced gablelike roofs, which is considerbly distorted from the regular cone calix4]arene. The origin of this distortion is discussed in combination with the spectral studies.This paper is dedicated to the commemorative issue of the 50th anniversary of calixarenes. |
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| Keywords: | Calixarenes arenetricarbonylchromium crystal structure |
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