Crystal structure of anisomycin, C ₁₄ H ₁₉ NO ₄

Abstract The crystal structure of anisomycin, C 14 H 19 NO 4 , has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density theory functional techniques. Anisomycin crystallizes in the space group P2 1 2 1 2 1 (#19) with a = 5.80382(4), b = 8.58149(6), c = 28.63508(26) Å, V = 1,426.183(27) Å 3 , and Z = 4 at 298 K. The crystal structure consists of layers of anisomycin molecules parallel to the ab -plane. The molecules form zig-zag chains of N–H···O and O–H···N hydrogen bonds along the a -axis. The powder pattern has been submitted to the International Centre for Diffraction Data for inclusion in the Powder Diffraction File ™ (PDF ® ).