Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures
文献情報
Ritesh Dubey, Sandeep Singh
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.
関連文献
IF 6.222
Small size yet big action: a simple sulfate anion templated a discrete 78-nuclearity silver sulfur nanocluster with a multishell structureIF 6.222
Synthesis and optical and electronic properties of one-dimensional sulfoxonium-based hybrid metal halide (CH3)3SOPbI3IF 6.222
Redox responsive Pluronic micelle mediated delivery of functional siRNA: a modular nano-assembly for targeted deliveryIF 6.843
The limits to biocatalysis: pushing the envelopeIF 6.222
Microscopic insights into long-range 1D ordering in a dense semi-disordered molecular overlayerIF 6.222
Effective utilisation of waste cooking oil in a single-cylinder diesel engine using alumina nanoparticlesIF 6.367
Life cycle assessment of power-to-gas with biogas as the carbon sourceIF 6.367
Novel aqueous amine looping approach for the direct capture, conversion and storage of CO2 to produce magnesium carbonateIF 6.367
Inside back coverIF 6.222
掲載誌
CrystEngComm

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.