Formulation design for poorly water-soluble drugs based on biopharmaceutics classification system: basic approaches and practical applications.

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jps.20578

Pharmaceutical Co-Crystals

The crystal engineering design strategy facilitates supramolecular synthesis of 13 new crystalline phases of carbamazepine (CBZ), an analgesic and anticonvulsant with known problems related to solubility and polymorphism. CBZ forms supramolecular complexes with the following molecules, all of which are complementary to CBZ in terms of hydrogen bonding and can therefore act as cocrystal formers:  acetone (1a); DMSO (1b); benzoquinone (1c); terephthalaldehyde (1d); saccharin (1e); nicotinamide (1f); acetic acid (1g); formic acid (1h); butyric acid (1i); trimesic acid (1j); 5-nitroisophthalic acid (1k); adamantane-1,3,5,7-tetracarboxylic acid (1l); and formamide (1m). Two distinct strategies based upon selection of complementary hydrogen-bond functionalities and previously known supramolecular synthons were utilized:  strategy I exploits the exofunctional nature of the carboxamide dimer as either a hydrogen-bond donor or a hydrogen-bond acceptor and thereby retains the carboxamide dimer that is present in al...

Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine

Most marketed pharmaceuticals consist of molecular crystals. The arrangement of the molecules in a crystal determines its physical properties and, in certain cases, its chemical properties, and so greatly influences the processing and formulation of solid pharmaceuticals, as well as key drug properties such as dissolution rate and stability. A thorough understanding of the relationships between physical structures and the properties of pharmaceutical solids is therefore important in selecting the most suitable form of an active pharmaceutical ingredient for development into a drug product. In this article, we review the different crystal forms of pharmaceuticals, the challenges that they present and recent advances in crystal structure determination. We then discuss computational approaches for predicting crystal properties. Finally, we review the analysis of crystal structures in furthering crystal engineering to design novel pharmaceutical compounds with desired physical and mechanical properties.

/pdf/crystal-structures-of-drugs-advances-in-determination-f0p6xy7tdh.pdf

Crystal structures of drugs: advances in determination, prediction and engineering

Nouveau Traité de Chimie Minérale.

X-ray Characterization of the Triclinic Polymorph of Carbamazepine

Phenomenology of Polymorphism, III:p,TDiagram and Stability of Piracetam Polymorphs

By slowly evaporating solutions of fullerene ${\mathrm{C}}_{60}$ in 1,2-dichloroethane at room temperature, crystals of an orthorhombic 1:1 solvate are obtained [$Cmcm,$ ${\mathrm{Cmc}2}_{1},$ or $\mathrm{Ama}2,$ with $a=10.065(9)\AA{},$ $b=31.34(3)\AA{},$ and $c=10.059(8)\AA{}$ ($C$ setting)]. Unusual decagonal needles with dihedral angles of $\ensuremath{\sim}36\ifmmode^\circ\else\textdegree\fi{}$ between adjacent faces also form. They are described in terms of a $10\ifmmode\times\else\texttimes\fi{}$ twinning of these orthorhombic crystals with needle axis (or twin axis [001]) parallel to composition planes in the form ${1K0}$ whose orientations do not correspond to rational index $k (9lKl10).$ This solvate decomposes with a desolvation enthalpy (45 kJ per mole of solvent) close to that of sublimation for pure solvent and it forms with a negative excess volume ($\ensuremath{-}23{\AA{}}^{3}$ per formula unit). Despite a packing coefficient (0.77) higher than that for hard sphere close packing (0.74), it spontaneously decomposes at room temperature. This is related to the solvent adsorption on cubic ${\mathrm{C}}_{60}$ which is shown to be preferred to the solvate formation by about $\ensuremath{-}10\mathrm{kJ}$ per mole of solvent.

Solid-state studies on single and decagonal crystals of C 60 grown from 1,2-dichloroethane

Decagonal C60 crystals grown from n-hexane solutions: solid-state and aging studies

Solid-state studies on C60 solvates grown from n-heptane

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