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首页> 外文期刊>Crystal growth & design >Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs?
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Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs?

机译:三甲基三恶烷(对甲醛)及其卤代甲烷络合物:结晶,结构和堆积图案的分析?

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摘要

Crystals of molecular complexes of trimethyltrioxane (TMT) with chloroform (CF), bromoform (BF), dichloromethane (DCM), and dibromomethane (DBM) as well as those of pure TMT were grown in situ and characterized by single crystal X-ray crystallography. The CF and BF complexes, as well as those of DCM and DBM, are isostructural. The packing motifs were examined using the vector analysis of pairwise energies of intermolecular interactions. The method shows some deficiencies of the traditional approach based on the analysis of geometrical parameters of short intermolecular contacts.
机译:三甲基三恶烷(TMT)与氯仿(CF),溴仿(BF),二氯甲烷(DCM)和二溴甲烷(DBM)以及纯TMT的分子配合物晶体原位生长并通过单晶X射线晶体学表征。 CF和BF配合物以及DCM和DBM的配合物是同构的。使用分子间相互作用的成对能量的矢量分析来检查堆积基序。该方法基于对短分子间接触的几何参数的分析,显示了传统方法的一些缺陷。

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