X-Ray Structure and Crystal Lattice Interactions of the Taxol Side-Chain Methyl Ester

Abstract

A colorless, parallelepiped crystal of methyl (2R,3S)-N-benzoyl-3-phenylisoserinate belonging to the space group P2_l with a = 5.414(4), b = 7.813(1), c = 17.802(7) Å, β = 90.87(4)°, Z = 2, V = 752.9 ų, D_calc = 1.32 g cm⁻³, and µ_calc = 1.02 cm⁻¹ was selected and the structure solved using direct methods. Refinement led to a final R = 0.079 for 819 [F_o ≥ 5σ(F_o)] reflections. Intermolecular hydrogen-bonding interactions are prevalent in the crystal lattice of this compound.