Polymorphism of R-Encenicline Hydrochloride: Access to the Highest Number of Structurally Characterized Polymorphs Using Desolvation of Various Solvates

Kons Artis; Berzins Agris; Actins Andris; Rekis Toms; van Smaalen Sander; Mishnev Anatoly

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Polymorphism of R-Encenicline Hydrochloride: Access to the Highest Number of Structurally Characterized Polymorphs Using Desolvation of Various Solvates

机译：盐酸r-心内线的多态性：使用各种溶剂化物的去溶剂处理获得最大数量的结构表征多晶型物

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In a study of the solid form landscape of R-encenicline hydrochloride (Enc-HCl), it was found that this compound is dodecamorphic and presents the first published example of polymorphism with a record-breaking 10 solved crystal structures. In addition to the four known polymorphs, eighth new polymorphs and their precursor solvates as well as several new hydrates have been characterized. The polymorph formation behavior is investigated by analyzing crystal structures of polymorphs and solvates used in their preparation. Molecular packing in crystal structures of the polymorphs is highly similar to that in the precursor solvates, whereas conformations in all structures are nearly identical and correspond to the same energy minimum.

机译：在研究R-心内盐酸盐（Enc-HCl）的固体形式景观中，发现该化合物是二角形，并呈现与突破10溶的晶体结构的多态性的第一个出版的例子。除了四种已知的多晶型物之外，第八次新多晶型物及其前体溶剂化物以及几种新的水合物的特征在于。通过分析它们制备中使用的多晶型物和溶剂化物的晶体结构来研究多晶型形成行为。多晶型物的晶体结构中的分子包装与前体溶剂化物中的高度相似，而所有结构中的构象几乎相同并且对应于相同的能量。

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《Crystal growth & design》 |2019年第8期|共9页
作者
Kons Artis; Berzins Agris; Actins Andris; Rekis Toms; van Smaalen Sander; Mishnev Anatoly;
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作者单位

Univ Latvia Fac Chem Jelgavas Iela 1 LV-1004 Riga Latvia;

Univ Latvia Fac Chem Jelgavas Iela 1 LV-1004 Riga Latvia;

Univ Latvia Fac Chem Jelgavas Iela 1 LV-1004 Riga Latvia;

Univ Bayreuth Lab Crystallog D-95440 Bayreuth Germany;

Univ Bayreuth Lab Crystallog D-95440 Bayreuth Germany;

Latvian Inst Organ Synth 21 Aizkraukles St LV-1006 Riga Latvia;

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正文语种 eng
中图分类晶体学;
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1. Polymorphism of R-Encenicline Hydrochloride: Access to the Highest Number of Structurally Characterized Polymorphs Using Desolvation of Various Solvates [J] . Kons Artis, Berzins Agris, Actins Andris, Crystal growth & design . 2019,第8期

机译：盐酸r-心内线的多态性：使用各种溶剂化物的去溶剂处理获得最大数量的结构表征多晶型物
2. Polymorphism through desolvation of the solvates of a van der Waals host [J] . Bhattacharya S., Saha B.K. Crystal growth & design . 2013,第2期

机译：通过范德华宿主的溶剂化物去溶剂化而实现多态性
3. Polymorph formation from solvate desolvation [J] . Beatrice Nicola?, P. Espeau, R. Céolin, Journal of Thermal Analysis and Calorimetry . 2007,第2期

机译：溶剂化物去溶剂化形成多晶型物
4. Characterizing Bipolar Disorder-Associated Single Nucleotide Polymorphisms in a Large British Cohort Using Association Rules [C] . Alberto Pinheira, Rodrigo Dias, Camila Nascimento, International Meeting on Computational Intelligence Methods for Bioinformatics and Biostatistics . 2020

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5. Understanding and characterizing flake polymorphisms as a quality attribute for microwave popcorn. [D] . Sweley, Jess C. 2012

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7. Polymorphism of R-encenicline hydrochloride: access to the highest number of structurally characterized polymorphs using desolvation of various solvates [O] . Artis Kons, Agris Berzinš, Toms Rekis 2019

机译：盐酸r-心内线的多态性：使用各种溶剂化物的去溶解物进入最大数量的结构表征多晶型物

Polymorphism of R-Encenicline Hydrochloride: Access to the Highest Number of Structurally Characterized Polymorphs Using Desolvation of Various Solvates

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