Polymorphism in Molecular Crystals

By Joel Bernstein. 2002

1,652 citations recorded by the source corpus.

First recognized in 1822, polymorphism of crystals is now a widely recognized and observed phenomenon, with both fundamental and commercial ramifications in disciplines and industries that study and utilize solid forms of matter. The purpose of this edition is to summarize and to bring up to date the current knowledge and understanding of polymorphism in molecular crystals, and to concentrate it in one source. The information has been gleaned from a wide variety (~2500) of sources in the open literature; however, because of the increasing commercial importance of the phenomenon, a significant portion of the information is less accessible, we have attempted to include both the information from those sources as well with full details of their citations. An introductory chapter on fundamental concepts, definitions, and historical development is followed by a presentation of the physical and structural bases for crystallization and polymorphism. The exploration of the crystal form landscape is described in detail, including polymorph screens, concomitant polymorphs, and disappearing polymorphs. A survey of analytical methods for studying and characterizing polymorphs is followed by a discussion of rapidly developing computational methods for studying and attempting to predict polymorphic behavior. A chapter with many examples of the utilization of polymorphic systems to investigate structure–property relationships in solids precedes three individual chapters on the role and importance of polymorphism in pharmaceuticals, high energy materials, and pigments. The book closes with a chapter on the role of polymorphism in establishing and protecting intellectual property connected with polymorphs through the patent system.

Subfields: Materials Chemistry, Organic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/e1032247071707282b069b40ee77a8faa3c255cb

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Citations in the corpus

Diversity in Single- and Multiple-Component Crystals. The Search for and Prevalence of Polymorphs and Cocrystals (2007, neutral): “61 Although some authors have gone so far as to state that polymorphism is characteristic of all substances, 3 there are compounds that have been made many times that are only known to exist in one crystal form.”
Using terahertz pulsed spectroscopy to study crystallinity of pharmaceutical materials (2004, neutral): “Crystallinity variations in a pharmaceutical substance may exhibit physicochemical differences that impact at therapeutic, manufacturing, commercial and legal levels [1–3].”
Organic Solid‐State Fluorescence: Strategies for Generating Switchable and Tunable Fluorescent Materials (2012, neutral): “[43] a) J.”
Isoconversional Kinetics of Thermally Stimulated Processes (2015, background): “The solid–solid transitions are quite common in ionic [6, 7] and molecular [8] crystalline compounds.”
Collective many-body van der Waals interactions in molecular systems (2012, background): “1 kcal∕mol per molecule), yet exhibit quite different physical and chemical properties, is of paramount importance in many fields, ranging from materials science and solid-state physics to biochemistry and pharmacology (34).”
The thermodynamic scale of inorganic crystalline metastability (2016, background): “For numerous materials technologies, metastable phases can exhibit superior properties than their corresponding stable phases; examples can be found for photocatalysts (2), photovoltaics (3, 4), gas sorbents (5), ion conductors (6), pharmaceuticals (7), steels (8), and more.”
High-throughput crystallization: polymorphs, salts, co-crystals and solvates of pharmaceutical solids. (2004, background): “Polymorphic systems are quite common among many types of organic crystals [7].”
Luminescence in Crystalline Organic Materials: From Molecules to Molecular Solids (2021, background): “[160] On the other hand, the prediction of crystal structures of conjugated materials is challenging;[161–165] although much progress has been seen in particular on polar and/or charged compounds,[164–166] this is more intricate for π-conjugated compounds due to shallow intermolecular electrostatic ”
Crystal engineering: a holistic view. (2007, background): “The issue of conformational polymorphism has long been known.([42]) It is always difficult to anticipate the packing of a molecule when the molecular structure and the crystal structure influence one another implicitly.”