Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures

文献信息

发布日期 2023-09-28
DOI 10.1039/D3CE00672G
影响因子 3.545
作者

Ritesh Dubey, Sandeep Singh



摘要

Dichlorosubstitution is known to steer crystal packings of planar aromatic compounds into short-axis β-structures. We employed the combinatorial matrix analogy of six isomeric dichlorophenols with two distinct coformers to identify the critical structural determinants, like (a) the O–H⋯N synthon and its variations; (b) weaker, subsidiary non-covalent interactions (C–H⋯Cl, Cl⋯Cl, Cl⋯π, and Cl⋯O) in the context of isolable crystal packings. We synthesized and structurally characterized 13 co-crystals obtained from two coformers, planar 1,10-phenanthroline (110phe) and flexible 4,4′-bipyridine (44bp). Systematic studies of these co-crystals demonstrated the utilities of dichlorosubstitution at molecular scaffolds to tune crystal packings, to explore chiral packing in achiral substrates and to apply geometrical complementarities (planar vs. flexible) in exploring uncharted crystallization routes of the given binary systems.

来源期刊

CrystEngComm

CrystEngComm
CiteScore: 5.5
自引率: 7.7%
年发文量: 643

CrystEngComm is the forum for the design and understanding of crystalline materials. We welcome studies on the investigation of molecular behaviour within crystals, control of nucleation and crystal growth, engineering of crystal structures, and construction of crystalline materials with tuneable properties and functions. We publish hypothesis-driven research into… how crystal design affects thermodynamics, phase transitional behaviours, polymorphism, morphology control, solid state reactivity (crystal-crystal solution-crystal, and gas-crystal reactions), optoelectronics, ferroelectric materials, non-linear optics, molecular and bulk magnetism, conductivity and quantum computing, catalysis, absorption and desorption, and mechanical properties. Using Techniques and methods including… Single crystal and powder X-ray, electron, and neutron diffraction, solid-state spectroscopy, spectrometry, and microscopy, modelling and data mining, and empirical, semi-empirical and ab-initio theoretical evaluations. On crystalline and solid-state materials. We particularly welcome work on MOFs, coordination polymers, nanocrystals, host-guest and multi-component molecular materials. We also accept work on peptides and liquid crystals. All papers should involve the use or development of a design or optimisation strategy. Routine structural reports or crystal morphology descriptions, even when combined with an analysis of properties or potential applications, are generally considered to be outside the scope of the journal and are unlikely to be accepted.

推荐供应商

中国深圳市诚峰智造有限公司
德国丁克尔伯格分析有限公司
爱沙尼亚爱沙尼亚托罗森
德国Verfaðstechnik Schweitzer GmbH
中国南京定达医药科技有限公司
中国湖南丰恩新材料科技有限公司
德国ARTES Valve & Service GmbH
中国金华中能自动设备化有限公司
中国浙江车头制药有限公司
中国上海阿瑞阀门成套设备厂
免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 [email protected] 联系我们。我们将及时核实并处理您的问题。