The crystal structure of meglumine diatrizoate has been solved and refined using synchrotron X-ray powder diffraction data optimized density functional theory techniques. Meglumine crystallizes in space group P2 1 (#4) with a = 10.74697(4), b 6.49364(2), c 18.52774(7) Å, β 90.2263(3), V 1292.985(5) Å 3 , Z 2. Two different structures, which yielded essentially identical refinement residuals pos...