Platelet activating factor antagonist design. 3. X-ray crystal structure and intermolecular crystal lattice interactions of methyl trans-4-acetoxymethyl-4,5-dihydro-2,5-bis(3,4-methylenedioxyphenyl)- 3-furancarboxylate.
C23H20O9, Mr = 440.41, monoclinic, P21/c, a = 11.433 (1), b = 7.808 (2), c = 23.313 (3) A, beta = 99.67 (1) degree, V = 2052 A3, Z = 4, Dx = 1.43 g cm-3, lambda(MoK alpha) = 0.71073 A, mu = 0.69 cm-1, F(000) = 920, T = 293 K, final R = 0.048 for 1645 observed [Fo greater than or equal to 5 sigma(Fo)] reflections. The observed structure reveals a trans relationship for the 4-acetoxymethyl and 5-aryl substituents. The 4,5-dihydrofuran ring system adopts an envelope conformation. There is no crystallographically imposed symmetry. Several intermolecular van der Waals interactions occur in the cell lattice of this compound.
Peterson
J R
JR
Michael Faraday Laboratories, Department of Chemistry, Northern Illinois University, DeKalb 60015.
Horsley
D B
DB
Brozik
J A
JA
Rogers
R D
RD
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D005663:Furans / Q000138:chemical synthesis; D008968:Molecular Conformation; D015394:Molecular Structure; D010972:Platelet Activating Factor / Q000037:antagonists & inhibitors*; D014961:X-Ray Diffraction
D005663:Furans; D010972:Platelet Activating Factor; C062168:methyl 4-acetoxymethyl-4,5-dihydro-2,5-bis(3,4-methylenedioxyphenyl)-3-furancarboxylate