Structure of metaraminol hydrogen tartrate from synchrotron X-ray data and density functional theory calculations

Salazar, J.K.; Kaduk, J.A.; Dosen, A.; Blanton, T.N.

doi:10.1107/S2056989026009497

Figure 3
Comparison of the refined structure of the bitartrate anion in (I) (red) to the VASP-optimized structure (blue). The comparison was generated using the Mercury calculate/molecule overlay tool; the r.m.s. difference is 0.167 Å.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 82| Part 10| October 2026|

https://doi.org/10.1107/S2056989026009497

Open

access