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Updated: Jul 12, 2025

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
Published on: June 8, 2016
Unlocking the secrets of doxepin hydrochloride's crystal structure: Insights from high-quality powder diffraction
Renan Marcel Bonilha Dezena1, Paulo César Pires Rosa2
1Preformulation Specialist Consultant, Pharmaceutical Industry, Campinas, São Paulo, Brazil; Faculty of Pharmaceutical Sciences, University of Campinas (UNICAMP), Campinas, São Paulo, Brazil.
Abstract:
Doxepin hydrochloride, a versatile pharmaceutical compound, has been the subject of extensive research aimed at elucidating its crystal structure and solid-state characteristics. In this manuscript, we explore the significance of high-quality powder diffraction data in unveiling the intricate details of doxepin hydrochloride's crystal lattice. By examining the refined atom coordinates, density functional theory (DFT) optimization, and intermolecular interactions, we gain valuable insights into its structural conformation. This knowledge highlights the importance of precise crystallographic data in advancing our understanding of complex compounds and their pharmaceutical applications.
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