The experimental library multipolar atom model refinement of L-aspartic acid

The crystal structure Of L-aspartic acid, C4H7NO4, has been determined using two types of refinement, viz. the standard independent atom model (IAM) and the experimental library multipolar atom model (ELMAM). The ELMAM refinement shows a good improvement of the statistical indices compared with the IAM model, notably in terms of thermal displacement parameters and bond distances involving H atoms.