The Crystal Structure of Orthocetamol Solved by 3D Electron Diffraction

Abstract

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Structure Determination, Thermal Stability and Dissolution Rate of δ Indomethacin

“…In such cases, 3D ED proved a valid option for the structure characterization of single sub-micrometric grains. [32][33][34][35][36][37] The main limit in the analysis of organic compounds is the fast deterioration induced by the electron beam. However, beam damage issues appear significantly mitigated after the introduction of single-electron detectors, able to get reasonable diffraction signal with an extremely mild electron dose rate.…”

“…30 In recent years, this protocol proved to be effective for structure determination of pharmaceutical compounds [31][32][33][34] and allowed the solution of a number of structures that could not be addressed by standard XRD. [35][36][37] Determining the crystal structure of δ-IMC delivered crucial information for understanding the remarkably high dissolution rate of this poorly-known polymorph, which appears now as a promising candidate for medicinal application.…”

Structure analysis of materials at the order–disorder borderline using three-dimensional electron diffraction

“…It is worth pointing out again that all kinds of twinning affect the intensity of the reflections, also of the ones that remain sharp and apparently not affected by this disorder feature. During structure refinement, the presence of twinning should be taken into consideration and sufficiently good diffraction data could allow a proper estimation of the volumetric ratio between the twin domains, even if connected by merohedry (Andrusenko et al, 2019).…”

“…One should remark that disorder and twinning are not exclusive features of minerals or inorganic materials. On the contrary, they are quite the rule for many organic and hybrid organic-inorganic compounds (Andrusenko et al, 2019). Nano-twinning was for example observed for the metalorganic compound Bi(BTB) (Feyand et al, 2012).…”

A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction

“…Volatile deep eutectic solvents (VODES) have recently demonstrated their potential in reaching hard-to-access crystal polymorphs in other pharmaceutical systems (Andrusenko et al, 2019;Potticary et al, 2020), often under ambient conditions. In accordance with typical eutectic solvents, VODES are a mixture of a hydrogen-bond donor and acceptor.…”