X-ray structure and crystal lattice interactions of the taxol side-chain methyl ester.
A colorless, parallelepiped crystal of methyl (2R,3S)-N-benzoyl-3-phenylisoserinate belonging to the space group P2(1) with a = 5.414(4), b = 7.813(1), c = 17.802(7) A, beta = 90.87(4) degrees, Z = 2, V = 752.9 A3, Dcalc = 1.32 g cm-3, and mu calc = 1.02 cm-1 was selected and the structure solved using direct methods. Refinement led to a final R = 0.079 for 819 [Fo greater than or equal to 5 sigma (Fo)] reflections. Intermolecular hydrogen-bonding interactions are prevalent in the crystal lattice of this compound.
Peterson
J R
JR
Department of Pharmacognosy, School of Pharmacy, University of Mississippi, University 38677.
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Rogers
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D000470:Alkaloids / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D004952:Esters / Q000737:chemistry; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D017239:Paclitaxel; D014961:X-Ray Diffraction
D000470:Alkaloids; D004952:Esters; D017239:Paclitaxel