Polymorphic Solid Solutions in Molecular Crystals: Tips, Tricks, and Switches.
Polymorphic Solid Solutions in Molecular Crystals: Tips, Tricks, and Switches.
复制标题
DOI：
10.1021/jacs.3c07105
复制
发表时间：
2023-09-20
影响因子：
15
通讯作者：
Cruz-Cabeza, Aurora J.
中科院分区：
文献类型：
--
作者：
Hill, Adam;Kras, Weronika;Theodosiou, Fragkoulis;Wanat, Monika;Lee, Daniel;Cruz-Cabeza, Aurora J.
在过去 20 年左右的时间里，晶体多态性一直是人们广泛关注的话题，特别是自从人们认识到它对制药行业的科学（和法律）重要性以来。相比之下，分子晶体中固溶体的形成却被忽视了，尽管它在无机晶体的类似领域中长期盛行。故意忘记的是，结晶分子固溶体在我们的世界中可能很常见，因为分子化合物很少能以 100% 的纯度生产，并且能够形成固溶体的杂质很难通过重结晶去除。鉴于分子晶体中多态性和固溶体的重要性，我们在此分享一些提示、技巧和观察结果，以帮助理解。首先，我们提出了一个适合描述具有多态性的分子晶体固溶体的命名系统（提示）。其次，我们强调与其实验和计算表征（技巧）相关的挑战。第三，我们表明，我们最近报道的观察结果是，多晶型稳定性可以通过固溶体形成而改变，这是一种普遍现象，并在第二个系统（开关）上报告了这一现象。我们的工作重点是历史上重要的化合物苯甲酰胺与烟酰胺和 3-氟苯甲酰胺形成固溶体。
Crystal polymorphism has been a topic of much interest for the past 20 years or so, especially since its scientific (and legal) importance to the pharmaceutical industry was realized. By contrast, the formation of solid solutions in molecular crystals has been overlooked despite its long-standing prevalence in the analogous field of inorganic crystals. Wilfully forgotten, crystalline molecular solid solutions may be very common in our world since molecular compounds are rarely produced with 100% purity, and impurities able to form solid solutions are difficult to reject via recrystallization. Given the importance of both polymorphism and solid solutions in molecular crystals, we share here some tips, tricks, and observations to aid in their understanding. First, we propose a nomenclature system fit for the description of molecular crystalline solid solutions capable of polymorphism (tips). Second, we highlight the challenges associated with their experimental and computational characterization (tricks). Third, we show that our recently reported observation that polymorph stabilities can change by virtue of solid solution formation is a general phenomenon, reporting it on a second system (switches). Our work focuses on the historically important compound benzamide forming solid solutions with nicotinamide and 3-fluorobenzamide.
登录
查看更多内容
影响因子：
3
作者：
Grimme, Stefan
通讯作者：
Grimme, Stefan
影响因子：
16.6
作者：
Fischer, Franziska;Greiser, Sebastian;Emmerling, Franziska
通讯作者：
Emmerling, Franziska
机械化学合成的固体溶液可实现维尔纳凝块吸附特性的工程设计
影响因子：
4.9
作者：
Batisai, Eustina;Lusi, Matteo;Barbour, Leonard J.
通讯作者：
Barbour, Leonard J.
影响因子：
5.9
作者：
Kras, Weronika;Carletta, Andrea;Montis, Riccardo;Sullivan, Rachel A.;Cruz-Cabeza, Aurora J.
通讯作者：
Cruz-Cabeza, Aurora J.
影响因子：
13.6
作者：
Hoja, Johannes;Ko, Hsin-Yu;Tkatchenko, Alexandre
通讯作者：
Tkatchenko, Alexandre