In this contribution, neutron scattering experiments (with isotopic substitution) of concentrated and supersaturated methanolic benzoic acid solutions combined with empirical potential structure refinement (EPSR) were used to investigate the time-averaged atomistic details of this system. Through the determination of radial distribution functions, quantitative details emerge of the solution coordination, its relationship to the nature of the crystalline phase, and the response of the solution to imposed supersaturation.