X-ray crystallographic studies of tricarbonylchromium complexes of calix[4]arene conformers: On an unusual conformation which appears in cone conformers

Hideshi Iki, Taketoshi Kikuchi, Hirohisa Tsuzuki, Seiji Shinkai

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]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 group P21/a, a=19.496(3)Å, b=11.118(2)Å, c=19.121(2)Å, β=109.95°(1) and V=3895Å3. The structure was refined to Rw=0.068. Crystal data for cone-1·Cr(CO)3 are space group P21/a, a=21.457(4)Å, b=12.184(1)Å, c=14.816(2)Å, β=91.61°(1) and V=3872Å3. The structure was refined to Rw=0.077. Crystal data for cone-1·2Cr(CO)3 are space group P21/a, a=18.019(3)Å, b=41.347(4)Å, c=11.743(2)Å, β=97.39°(1) and V=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined to Rw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]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 calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.

Original languageEnglish
Pages (from-to)227-236
Number of pages10
JournalJournal of Inclusion Phenomena and Molecular Recognition in Chemistry
Volume19
Issue number1-4
DOIs
Publication statusPublished - Mar 1 1994

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crystals
Conformations
Cones
cones
X-radiation
X-Rays
X rays
x rays
Crystals
Single crystals
calix(4)arene
roofs
single crystals
Roofs

All Science Journal Classification (ASJC) codes

  • Food Science
  • Chemistry(all)
  • Condensed Matter Physics

Cite this

X-ray crystallographic studies of tricarbonylchromium complexes of calix[4]arene conformers : On an unusual conformation which appears in cone conformers. / Iki, Hideshi; Kikuchi, Taketoshi; Tsuzuki, Hirohisa; Shinkai, Seiji.

In: Journal of Inclusion Phenomena and Molecular Recognition in Chemistry, Vol. 19, No. 1-4, 01.03.1994, p. 227-236.

Research output: Contribution to journalArticle

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title = "X-ray crystallographic studies of tricarbonylchromium complexes of calix[4]arene conformers: On an unusual conformation which appears in cone conformers",
abstract = "The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]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 group P21/a, a=19.496(3){\AA}, b=11.118(2){\AA}, c=19.121(2){\AA}, β=109.95°(1) and V=3895{\AA}3. The structure was refined to Rw=0.068. Crystal data for cone-1·Cr(CO)3 are space group P21/a, a=21.457(4){\AA}, b=12.184(1){\AA}, c=14.816(2){\AA}, β=91.61°(1) and V=3872{\AA}3. The structure was refined to Rw=0.077. Crystal data for cone-1·2Cr(CO)3 are space group P21/a, a=18.019(3){\AA}, b=41.347(4){\AA}, c=11.743(2){\AA}, β=97.39°(1) and V=8676{\AA}3. The single crystal included two similar but slightly different structures but the data were successfully refined to Rw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]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 calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.",
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AU - Tsuzuki, Hirohisa

AU - Shinkai, Seiji

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N2 - The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]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 group P21/a, a=19.496(3)Å, b=11.118(2)Å, c=19.121(2)Å, β=109.95°(1) and V=3895Å3. The structure was refined to Rw=0.068. Crystal data for cone-1·Cr(CO)3 are space group P21/a, a=21.457(4)Å, b=12.184(1)Å, c=14.816(2)Å, β=91.61°(1) and V=3872Å3. The structure was refined to Rw=0.077. Crystal data for cone-1·2Cr(CO)3 are space group P21/a, a=18.019(3)Å, b=41.347(4)Å, c=11.743(2)Å, β=97.39°(1) and V=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined to Rw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]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 calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.

AB - The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]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 group P21/a, a=19.496(3)Å, b=11.118(2)Å, c=19.121(2)Å, β=109.95°(1) and V=3895Å3. The structure was refined to Rw=0.068. Crystal data for cone-1·Cr(CO)3 are space group P21/a, a=21.457(4)Å, b=12.184(1)Å, c=14.816(2)Å, β=91.61°(1) and V=3872Å3. The structure was refined to Rw=0.077. Crystal data for cone-1·2Cr(CO)3 are space group P21/a, a=18.019(3)Å, b=41.347(4)Å, c=11.743(2)Å, β=97.39°(1) and V=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined to Rw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]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 calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.

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