Abstract：
The solid-state properties of drug candidates play a crucial role in their selection. Quality control of active pharmaceutical ingredients (APIs) based on their structural information involves ensuring a consistent crystal form and controlling water and residual solvent contents. However, traditional crystallographic techniques have limitations and require high-quality single crystals for structural analysis. Microcrystal electron diffraction (microED) overcomes these challenges by analyzing difficult-to-crystallize or small-quantity samples, making it valuable for efficient drug development. In this study, microED analysis was able to rapidly determine the configuration of two crystal forms (Forms 1, 2) of the API ranitidine hydrochloride. The structures obtained with microED are consistent with previous structures determined by X-ray diffraction, indicating microED is a useful tool for rapidly analyzing molecular structures in drug development and materials science research.
摘要：
候选药物的固态特性在它们的选择中起着至关重要的作用。基于其结构信息的活性药物成分(API)的质量控制包括确保一致的晶体形式和控制水和残留溶剂含量。然而,传统的晶体学技术具有局限性，需要高质量的单晶进行结构分析。微晶电子衍射（microED）通过分析难以结晶或少量样品克服了这些挑战，使其对高效药物开发有价值。在这项研究中,microED分析能够快速确定API雷尼替丁盐酸盐的两种晶型(晶型1、2)的构型。使用microED获得的结构与通过X射线衍射确定的先前结构一致，表明microED是药物开发和材料科学研究中快速分析分子结构的有用工具。
