Structural analysis of metastable pharmaceutical loratadine form II, by 3D electron diffraction and DFT+D energy minimisation
Academic source · CrystEngComm
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Site published: 2026-11-03 · Updated: 2026-11-03
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What the paper reports
Researchers combined room-temperature, limited-resolution three-dimensional electron diffraction with density-functional energy minimization to determine metastable loratadine Form II. Direct methods were insufficient because of resolution, disorder, and possible beam-induced amorphization. Simulated annealing generated candidate models, and computational validation selected the correct structure, illustrating a complementary experimental and computational workflow for challenging pharmaceutical polymorphs.
Why this paper is included
The study is a practical precedent for rescuing informative but imperfect electron-diffraction data from beam-sensitive, metastable pharmaceutical forms.
The interpretation above is analysis, not a conclusion attributed to the original source.
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