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首页> 外文期刊>Crystal growth & design >Novel Strategy to Control Polymorph Nucleation of Gamma Pyrazinamide by Preferred Intermolecular Interactions during Heterogeneous Nucleation
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Novel Strategy to Control Polymorph Nucleation of Gamma Pyrazinamide by Preferred Intermolecular Interactions during Heterogeneous Nucleation

机译：通过优选的分子间相互作用来控制γ吡嗪酰胺的多晶型物核的新策略

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摘要

Pyrazinamide is usually nucleated from solution as a dimeric form; it has rarely been reported in the gamma form (chain structure) crystallized from solution, especially from aqueous solution. Here, we designed a novel way to obtain the gamma form of pyrazinamide from aqueous solution. Specific templates were applied to disturb the intrinsic self-association of pyrazinamide molecules and prevent the formation of the dimer structure. In this paper, the heterosynthon design method was applied in pyrazinamide heterogeneous nucleation, in which sulfonamides were chosen as the templates. In the presence of sulfonamide templates, hydrogen bonds between the carbonyl moiety of the amide group in pyrazinamide molecules and the sulfonamide moiety of sulfonamide template molecules were formed; these preferred intermolecular interactions protected the carbonyl groups of PZA, facilitating assembly of PZA molecules in a chain via N-H center dot center dot center dot N' and nucleating as the gamma form of PZA. This is the first time that the heterosynthon design method was applied to screen effective templates, which can control and select the desired polymorph in heterogeneous nucleation.
机译：吡嗪酰胺通常从溶液中核，作为二聚体形式;它很少在从溶液中结晶的γ形式（链结构）中报道，尤其是水溶液。在这里，我们设计了一种从水溶液中获得吡嗪酰胺的γ形式的新方法。应用特异性模板来干扰吡嗪酰胺分子的内在自我关联，并防止形成二聚体结构。在本文中，杂志酰胺非均相成核施用异质酶设计方法，其中选择磺酰胺作为模板。在磺酰胺模板的存在下，形成吡嗪酰胺分子中酰胺基的羰基部分与磺酰胺模板分子的磺酰胺部分之​​间的氢键;这些优选的分子间相互作用保护了PZA的羰基，促进通过N-H中心点中心点中心点N'在链中组装PZA分子，并核成γ的PZA形式。这是第一次应用异质素设计方法对筛选有效模板，这可以控制和选择异质成核中所需的多晶型物。

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  • 来源
    《Crystal growth & design》 |2018年第9期|共6页
  • 作者

    Zhang Keke; Xu Shijie; Liu Shiyuan; Tang Weiwei; Fu Xiaoyan; Gong Junbo;

  • 作者单位

    Tianjin Univ State Key Lab Chem Engn Sch Chem Engn &

    Technol Tianjin 300072 Peoples R China;

    Tianjin Univ State Key Lab Chem Engn Sch Chem Engn &

    Technol Tianjin 300072 Peoples R China;

    Tianjin Univ State Key Lab Chem Engn Sch Chem Engn &

    Technol Tianjin 300072 Peoples R China;

    Tianjin Univ State Key Lab Chem Engn Sch Chem Engn &

    Technol Tianjin 300072 Peoples R China;

    Tianjin Univ State Key Lab Chem Engn Sch Chem Engn &

    Technol Tianjin 300072 Peoples R China;

    Tianjin Univ State Key Lab Chem Engn Sch Chem Engn &

    Technol Tianjin 300072 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 晶体学;
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