• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

穿越相空间的十字路口上的晶体:一条中庸之道。

Crystals at a Carrefour on the Way through the Phase Space: A Middle Path.

机构信息

Кurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russia.

出版信息

Molecules. 2021 Mar 13;26(6):1583. doi: 10.3390/molecules26061583.

DOI:10.3390/molecules26061583
PMID:33805629
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7998266/
Abstract

Multiple supramolecular functionalities of cyclic α-alkoxy tellurium-trihalides (including Te---O, Te---X (X = Br, I) and Te---π(C=C) supramolecular synthons) afford rich crystal packing possibilities, which consequently results in polymorphism or Z' > 1 crystal structures. Example of three crystal forms of cyclohexyl-ethoxy-tellurium-trihalides, one of which combines the packing of two others, affords a unique model to observe the at the early stages of crystallization, when find themself at a carrefour between the evolutionally close routes, but fail to choose between two energetically close packing patterns, so taking the "middle path", which incorporates both of them (and results in two crystallographically independent molecules). In general, this allows a better understanding of the existing structures, and an instrument to search for the new polymorphic forms.

摘要

环状α-烷氧基碲三卤化物(包括 Te---O、Te---X(X=Br、I)和 Te---π(C=C)超分子合成子)的多种超分子功能提供了丰富的晶体堆积可能性,从而导致了多晶型或 Z'>1 晶体结构。环己基乙氧基碲三卤化物的三种晶型的例子,其中一种结合了另外两种的堆积方式,提供了一个独特的模型,可以观察到在结晶的早期阶段,当 发现自己处于进化上接近的两条途径的十字路口时,但无法在两种能量上接近的堆积模式之间进行选择,因此采取了“中间道路”,将两者都包含在内(并导致两个结晶学上独立的分子)。总的来说,这可以更好地理解现有的结构,并为寻找新的多晶型形式提供工具。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/e0247597e189/molecules-26-01583-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/4fc5c4edf76b/molecules-26-01583-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/b17f4979c043/molecules-26-01583-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/71c0d9fc92f8/molecules-26-01583-g001a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/8f0c45086ac4/molecules-26-01583-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/262ca2a52850/molecules-26-01583-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/3e3e9594611e/molecules-26-01583-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/859b3852bb43/molecules-26-01583-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/a29770bc6206/molecules-26-01583-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/ecbfe4122025/molecules-26-01583-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/863ed8510284/molecules-26-01583-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/e0247597e189/molecules-26-01583-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/4fc5c4edf76b/molecules-26-01583-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/b17f4979c043/molecules-26-01583-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/71c0d9fc92f8/molecules-26-01583-g001a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/8f0c45086ac4/molecules-26-01583-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/262ca2a52850/molecules-26-01583-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/3e3e9594611e/molecules-26-01583-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/859b3852bb43/molecules-26-01583-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/a29770bc6206/molecules-26-01583-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/ecbfe4122025/molecules-26-01583-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/863ed8510284/molecules-26-01583-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19b2/7998266/e0247597e189/molecules-26-01583-g009.jpg

相似文献

1
Crystals at a Carrefour on the Way through the Phase Space: A Middle Path.穿越相空间的十字路口上的晶体:一条中庸之道。
Molecules. 2021 Mar 13;26(6):1583. doi: 10.3390/molecules26061583.
2
Contributions of secondary alcohol-ketone O-H...O=C and furan-acetate Csp-H...OOC synthons to the supramolecular packings of two bioactive molecules.仲醇-酮 O-H…O=C 和呋喃-乙酸酯 Csp-H…OOC 连接子对两个生物活性分子超分子堆积的贡献。
Acta Crystallogr C Struct Chem. 2021 Jun 1;77(Pt 6):312-320. doi: 10.1107/S2053229621005209. Epub 2021 May 27.
3
Non-Classical Synthons: Supramolecular Recognition by S⋅⋅⋅O Chalcogen Bonding in Molecular Complexes of Riluzole.非经典给体:利鲁唑分子配合物中 S···O 类卤键的超分子识别
Chemistry. 2019 Mar 7;25(14):3591-3597. doi: 10.1002/chem.201805131. Epub 2019 Feb 6.
4
Chimeric supramolecular synthons in PhTe(I)Se.PhTe(I)Se中的嵌合超分子合成子。
Acta Crystallogr C Struct Chem. 2020 Jun 1;76(Pt 6):579-584. doi: 10.1107/S2053229620006166. Epub 2020 May 18.
5
Approaching Materials with Atomic Precision Using Supramolecular Cluster Assemblies.利用超分子簇组装以原子精度处理材料。
Acc Chem Res. 2019 Jan 15;52(1):2-11. doi: 10.1021/acs.accounts.8b00369. Epub 2018 Dec 3.
6
Synthesis, experimental and in silico studies of N-fluorenylmethoxycarbonyl-O-tert-butyl-N-methyltyrosine, coupled with CSD data: a survey of interactions in the crystal structures of Fmoc-amino acids.N-芴甲氧羰基-O-叔丁基-N-甲基酪氨酸的合成、实验及计算机模拟研究,结合剑桥晶体结构数据库(CSD)数据:芴甲氧羰基氨基酸晶体结构中的相互作用综述
Acta Crystallogr C Struct Chem. 2020 Apr 1;76(Pt 4):328-345. doi: 10.1107/S2053229620003009. Epub 2020 Mar 10.
7
Conformational polymorphism in organic crystals.有机晶体中的构象多态性。
Acc Chem Res. 2008 May;41(5):595-604. doi: 10.1021/ar700203k. Epub 2008 Mar 19.
8
Role of supramolecular synthons in the formation of the supramolecular architecture of molecular crystals revisited from an energetic viewpoint.从能量角度重新审视超分子构筑基元在分子晶体超分子结构形成中的作用。
Phys Chem Chem Phys. 2014 Apr 14;16(14):6773-86. doi: 10.1039/c3cp55390f. Epub 2014 Mar 5.
9
Twinning by merohedry in bis(4-methoxyphenyl)tellurium(IV) diiodide dimethyl sulfoxide hemisolvate.二(4-甲氧基苯基)碲(IV)二碘化物二甲亚砜半溶剂合物中的准同形孪生现象。
Acta Crystallogr C. 2008 May;64(Pt 5):o257-60. doi: 10.1107/S0108270108007804. Epub 2008 Apr 9.
10
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters.邻苯二酚:4,4'-联吡啶体系中的晶状景观:连接基模块性、多极电荷密度参数的多态性和可传递性。
IUCrJ. 2013 Oct 1;1(Pt 1):8-18. doi: 10.1107/S2052252513024421. eCollection 2014 Jan 1.

本文引用的文献

1
Chalcogen Bonding: An Overview.硫属键合:概述。
Angew Chem Int Ed Engl. 2019 Feb 11;58(7):1880-1891. doi: 10.1002/anie.201809432. Epub 2018 Dec 4.
2
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory.探索定域对自然轨道耦合簇理论的精度极限。
J Chem Theory Comput. 2015 Apr 14;11(4):1525-39. doi: 10.1021/ct501129s.
3
The Halogen Bond.卤键
Chem Rev. 2016 Feb 24;116(4):2478-601. doi: 10.1021/acs.chemrev.5b00484. Epub 2016 Jan 26.
4
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory.稀疏映射——一种用于缩减尺度电子结构方法的系统框架。II. 基于线性尺度域的对自然轨道耦合簇理论。
J Chem Phys. 2016 Jan 14;144(2):024109. doi: 10.1063/1.4939030.
5
Facts and fictions about polymorphism.多态性的事实与虚构。
Chem Soc Rev. 2015 Dec 7;44(23):8619-35. doi: 10.1039/c5cs00227c. Epub 2015 Sep 24.
6
Crystal structure refinement with SHELXL.使用SHELXL进行晶体结构精修。
Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):3-8. doi: 10.1107/S2053229614024218. Epub 2015 Jan 1.
7
Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals.能量框架:对相互作用各向异性和分子晶体力学性质的见解。
Chem Commun (Camb). 2015 Mar 4;51(18):3735-8. doi: 10.1039/c4cc09074h.
8
The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole.卤键的强度和方向性由σ-空穴的大小和尺寸共同决定。
Phys Chem Chem Phys. 2014 Jun 7;16(21):9987-96. doi: 10.1039/c3cp55188a. Epub 2014 Jan 30.
9
Crystal engineering: from molecule to crystal.晶体工程:从分子到晶体。
J Am Chem Soc. 2013 Jul 10;135(27):9952-67. doi: 10.1021/ja403264c. Epub 2013 Jun 27.
10
Effect of the damping function in dispersion corrected density functional theory.色散修正密度泛函理论中阻尼函数的作用。
J Comput Chem. 2011 May;32(7):1456-65. doi: 10.1002/jcc.21759. Epub 2011 Mar 1.