Journal ArticleDOI
From Molecules to Interactions to Crystal Engineering: Mechanical Properties of Organic Solids.
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TLDR
This Account describes efforts at focusing down into mechanical properties of organic molecular crystals from the viewpoint of crystal engineering, which is the synthesis and design of functional molecular solids and presents examples where complex properties may be deliberately turned on or off in organic crystals.Abstract:
ConspectusMechanical properties of organic molecular crystals have been noted and studied over the years but the complexity of the subject and its relationship with diverse fields such as mechanochemistry, phase transformations, polymorphism, and chemical, mechanical, and materials engineering have slowed understanding. Any such understanding also needs conceptual advances—sophisticated instrumentation, computational modeling, and chemical insight—lack of such synergy has surely hindered progress in this important field. This Account describes our efforts at focusing down into this interesting subject from the viewpoint of crystal engineering, which is the synthesis and design of functional molecular solids. Mechanical properties of soft molecular crystals imply molecular movement within the solid; the type of property depends on the likelihood of such movement in relation to the applied stress, including the ability of molecules to restore themselves to their original positions when the stress is removed...read more
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Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects
Artem O. Surov,Alexander P. Voronin,Ksenia V. Drozd,Matvey S. Gruzdev,German L. Perlovich,Jupally Prashanth,Sridhar Balasubramanian,Sridhar Balasubramanian +7 more
TL;DR: Attempts to obtain new cocrystals of nonsteroidal antiandrogenic drug nilutamide produced alternative polymorphic forms of the compound and their crystal structures were elucidated by single-crystal X-ray diffraction, with Form I being confirmed as the thermodynamic most stable solid phase.
Journal ArticleDOI
Exploration of the Luminescence Properties of Organic Phosphate Salts of 3-Quinoline- and 5-Isoquinolineboronic Acid
Glenda Y. Ruelas‐Alvarez,A. Jaquelin Cárdenas-Valenzuela,Adriana Cruz-Enríquez,Herbert Höpfl,José J. Campos-Gaxiola,Mario Alejandro Rodríguez-Rivera,Braulio Rodríguez-Molina +6 more
Journal ArticleDOI
The explicit role of electron exchange in the hydrogen bonded molecular complexes.
TL;DR: In this article, a set of advanced bonding descriptors were applied to establish the hidden electron density features and binding energy characteristics of intermolecular DH∙∙ ∙A hydrogen bonds.
Journal ArticleDOI
Elastic deformability and luminescence of crystals of polyhalogenated platinum(II)–bipyridine complexes
Masaki Yoshida,Yusuke Makino,Toshiyuki Sasaki,Shunichi Sakamoto,Satoshi Takamizawa,Atsushi Kobayashi,Masako Kato,Masako Kato +7 more
TL;DR: In this article, a series of polyhalogenated platinum(II)-bipyridine complexes showing solvent-of-crystallisation-dependent elastic flexibility were developed, which were the first examples of flexible methanol-solvated crystals showing assembly-induced luminescence arising from the 3MMLCT excited state.
Journal ArticleDOI
Novel Pharmaceutical Cocrystal of Apalutamide, a Nonsteroidal Antiandrogen Drug: Synthesis, Crystal Structure, Dissolution, Stress, and Excipient Compatibility
Venkata Narasayya Saladi,Bal Raju Kammari,G. Rama Krishna,Eswaraiah Sajja,Rajan S. Thirumali,Arthanareeswari Marutapilli,Vijayavitthal T. Mathad +6 more
TL;DR: In this paper , a 1:1 cocrystal of Apalutamide (APA) with methylparaben (MP) was identified by cooling crystallization during the cocrystall screening and characterized by various solidstate techniques, such as PXRD, DSC, TGA, FT-IR, and 13C solid-state CP-MAS NMR spectroscopy.
References
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Journal ArticleDOI
Photodimerization in the solid state
TL;DR: In this article, a review of solid-state photochemistry can be found under four parallel headings: first, analysis of the topochemical postulate according to which the course of the solid state reaction and the stereochemistry of the photodimer (if any) can be predicted from the configuration and nearest-neighbour geometry of closest monomer molecules in the crystal lattice; secondly, the study of the lOCUS of the reaction, that is the dependence of the course or (dimerization, cis trans isomerization) on crystal texture (dislocation
Journal ArticleDOI
Isostructurality, Polymorphism and Mechanical Properties of Some Hexahalogenated Benzenes: The Nature of Halogen⋅⋅⋅Halogen Interactions
C. Malla Reddy,Michael T. Kirchner,Ravi C. Gundakaram,K. Anantha Padmanabhan,Gautam R. Desiraju +4 more
TL;DR: Both chemical and geometrical models need to be considered for X...X interactions in hexahalogenated benzenes, where nonspecificity of the weak interlayer interactions here is demonstrated by the structure of twinned crystals of these compounds.
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Mechanochemical preparation of co-crystals
TL;DR: The preparation of co-crystals via mechanochemistry combines the quest for clean and green processes with the investigation of multicomponent new materials, among the currently most fashionable systems in the crystal engineering field.
Journal ArticleDOI
Mechanochemistry: the varied applications of mechanical bond-breaking
TL;DR: In this paper, a wide range of practical applications of mechanochemistry are outlined with typical examples for ceramics, mechanical alloying, hydrogen storage, organic syntheses, waste remediation, leachings, surface plasmas, radical formation, explosives, nanotube formation, nanoparticles grafting, polymer technology, radical initiation, scratchless polishing, wear protection, lubrication, mechanochromism, nano-dissection, and many more.
Journal ArticleDOI
Elastic and bendable caffeine cocrystals: implications for the design of flexible organic materials.
Soumyajit Ghosh,C. Malla Reddy +1 more
TL;DR: A remarkably flexible, elastically bendable cocrystal solvate 1 is reported, formed from caffeine, 4-chloro-3-nitrobenzoic acid, and methanol in a 1:1:< 1 ratio (Figure 1).
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Elastic and bendable caffeine cocrystals: implications for the design of flexible organic materials.
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