ISSN:
1573-1111
Keywords:
X-Ray crystal structure analysis
;
calixarene conformation
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract p-(Methyl,tert-butyl, nitro,tert-butyl) calix[4]arene: toluene, C37H41NO6. C7H8,M r = 687.87, triclinic, $$P\bar 1$$ ,a = 13.668(2),b = 12.187(2),c = 13.231(1) Å,α = 106.78(8),β = 77.88(1),γ = 114.00(1)°,V = 1916.8(8) Å3,Z = 2,D x = 1.19 g cm−3,λ (CuK α) = 1.54178 Å,μ = 5.90 cm−1,F(000) = 736,T = 293 K, finalR = 0.068 for 6309 observed reflections. This macrocycle, having different substituents at the positionspara to the hydroxyl groups, is the first one of its type to be studied. The general conformation of this calix[4]arene is compared to similar symmetrical ones. Thetert-butyl groups are not disordered as is usual and toluene is retained between the macrocycles. Two calixarene molecules are positioned to permit atert-butyl group of one to be inside the cavity of the second to establish CH3-π interactions.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01041258
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