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Syntheses and structures of dihydrocalix[4]arenes bearing O-benzonitrile and O-acetonyl substituents
Authors:Jeffrey C. Bryan  Nancy L. Engle  Richard A. Sachleben
Affiliation:(1) Chemical and Analytical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, 37831-6119
Abstract:Three 25,27-dihydrocalix[4]arene derivatives, bearing benzonitrile and acetone groups on the oxygens, were prepared and structurally characterized. All three structures crystallize in 
$$Pbar 1$$
, with cell dimensions: bis(benzonitrile)calix[4]arene·toluene, a = 11.530(2) Å, b = 12.013(2) Å, c = 14.089(4) Å, agr = 103.555(18)°, beta = 94.341(18)°, gamma = 104.704(16)°, and V = 1815.9(7) Å3; anti-bis-acetone-calix[4]arene, a = 7.5847(8) Å, b = 12.0948(17) Å, c = 15.3375(16) Å, agr = 78.982(10)°, beta = 76.932(9)°, gamma = 73.129(10)°, and V = 1299.6(3) Å3; syn-bis-acetone-calix[4]arene, a = 9.080(3) Å, b = 10.391(3) Å, c = 14.816(3) Å, agr = 96.998(19)°, beta = 100.02(2)°, gamma = 103.93(3)°, and V = 1299.6(3) Å3.
Keywords:Calixarene  crystal structure  synthesis  conformation
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