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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 17, Number 5
BKCSDE 17(5)
May 20, 1996 

Synthesis and Molecular Structure of Calix[4]arene Butanoate 1,2-Alternate Conformer
Kwanghyun No*, Young Ja Park, Keun Hee Kim, Jung Mi Shin
Three conformational isomers of calix[4]arene butanoate were isolated from the reaction of calix[4]arene and butanoyl chloride in the presence of NaH and their structures were determined by NMR spectra as 1,2-alternate 2a, partial cone 2b and 1,3-alternate conformer 2c, respectively. The crystal structure of 2a has been determined by X-ray diffraction method. The crystals are monoclinic, space group C2/c, a=18.435 (4), b=13.774 (2), c=16.941 (3) Å, β =116.23 (1)°, Z=4, V=3858.8 (12)Å3, Dc=1.21 g cm-3, Dm=1.21 g cm-3. The molecule is in the 1,2-alternate conformation. It has two-fold symmetry axis along the line connecting between C (7AA') and C (7BB') parallel to the b axis of crystal lattice.
447 - 452
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