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Themed collection The Solid State of Pharmaceuticals

27 items
Editorial

The solid state of pharmaceuticals

Welcome to this CrystEngComm themed issue entitled “The solid state of pharmaceuticals.”

Graphical abstract: The solid state of pharmaceuticals
From the themed collection: The Solid State of Pharmaceuticals
Highlight

Polymorphism in p-aminobenzoic acid

We review the polymorphism of p-aminobenzoic acid (pABA), a model drug compound whose crystallisation and polymorphic behaviour has been extensively studied in recent years.

Graphical abstract: Polymorphism in p-aminobenzoic acid
From the themed collection: 2019 Highlight article collection
Communication

Determining short-lived solid forms during phase transformations using molecular dynamics

We demonstrate that elusive high-energy metastable crystal structures can be determined from molecular dynamics simulations.

Graphical abstract: Determining short-lived solid forms during phase transformations using molecular dynamics
From the themed collection: The Solid State of Pharmaceuticals
Communication

Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation

A new polymorph of amodiaquine dihydrochloride dihydrate was obtained via heterogenous crystallization. This new polymorph showed difference in two-dimensional sheet structure compare to previously known polymorph.

Graphical abstract: Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation
From the themed collection: The Solid State of Pharmaceuticals
Communication

Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study

Crystalline and amorphous stable binary compounds of indapamide for high solubility and permeability.

Graphical abstract: Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study
From the themed collection: The Solid State of Pharmaceuticals
Communication

Remarkable decrease in stiffness of aspirin crystals upon reducing crystal size to nanoscale dimensions via sonochemistry

Nano-dimensional crystals of aspirin generated through sonochemistry exhibit Young's modulus values an order of magnitude softer than macro-dimensional crystals.

Graphical abstract: Remarkable decrease in stiffness of aspirin crystals upon reducing crystal size to nanoscale dimensions via sonochemistry
From the themed collection: The Solid State of Pharmaceuticals
Communication

Mechanochemistry vs. solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method

A mechanochemically prepared solvated salt of an archetypal blockbuster drug exhibits significantly different bench stability to analogous material made in solution.

Graphical abstract: Mechanochemistry vs. solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method
From the themed collection: The Solid State of Pharmaceuticals
Paper

Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms

Reacting paroxetine HCl with oxalic, maleic, fumaric and L-tartaric acids results in the formation of novel molecular salts.

Graphical abstract: Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms
From the themed collection: The Solid State of Pharmaceuticals
Open Access Paper

Conundrum of γ glycine nucleation revisited: to stir or not to stir?

Stirring promotes formation of the metastable α glycine polymorph, whereas stable γ glycine forms under quiescent conditions.

Graphical abstract: Conundrum of γ glycine nucleation revisited: to stir or not to stir?
From the themed collection: The Solid State of Pharmaceuticals
Paper

Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid

Different 5-hydroxynicotinic acid tautomers were selectively captured through solvate formation. The selectivity is lost once the memory of solvation is erased by removing the solvent from the crystal lattice.

Graphical abstract: Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid
From the themed collection: The Solid State of Pharmaceuticals
Open Access Paper

Crystallisation in printed droplets: understanding crystallisation of D-mannitol polymorphs

Crystallising D-mannitol in printed droplets provides new insights into understanding the effect of foreign surfaces on the formation of its polymorphs.

Graphical abstract: Crystallisation in printed droplets: understanding crystallisation of d-mannitol polymorphs
Paper

On the prevalence of smooth polymorphs at the nanoscale: implications for pharmaceuticals

Ball mill neat grinding leads to smoother whereas liquid assisted grinding leads to rougher pharmaceutical forms.

Graphical abstract: On the prevalence of smooth polymorphs at the nanoscale: implications for pharmaceuticals
Paper

Discovery and recovery of delta p-aminobenzoic acid

A new high-pressure recoverable form has been observed in the model system, p-aminobenzoic acid.

Graphical abstract: Discovery and recovery of delta p-aminobenzoic acid
From the themed collection: The Solid State of Pharmaceuticals
Open Access Paper

Ball size or ball mass – what matters in organic mechanochemical synthesis?

The effects of milling ball mass, size and material are isolated for a model mechanochemical co-crystallisation.

Graphical abstract: Ball size or ball mass – what matters in organic mechanochemical synthesis?
From the themed collection: Editor’s Collection: Mechanochemistry
Paper

Solvent driven phase transitions of acyclovir – the role of water and solvent polarity

The pathways of transformations of acyclovir forms I and V induced by organic solvents and water have been identified. Significant differences in the thermal dehydration process of forms V and VI were observed.

Graphical abstract: Solvent driven phase transitions of acyclovir – the role of water and solvent polarity
From the themed collection: The Solid State of Pharmaceuticals
Paper

The use of biocompatible crystalline substrates for the heterogeneous nucleation and polymorphic selection of indomethacin

A heteroepitaxial nucleation approach was used to control the phase selective nucleation of indomethacin using biocompatible, organic crystalline substrates.

Graphical abstract: The use of biocompatible crystalline substrates for the heterogeneous nucleation and polymorphic selection of indomethacin
From the themed collection: The Solid State of Pharmaceuticals
Paper

Solvent-polymer guest exchange in a carbamazepine inclusion complex: structure, kinetics and implication for guest selection

Solvent–polymer guest exchange in a carbamazepine inclusion complex in a stirred solution was studied and a mechanism was proposed.

Graphical abstract: Solvent-polymer guest exchange in a carbamazepine inclusion complex: structure, kinetics and implication for guest selection
From the themed collection: The Solid State of Pharmaceuticals
Open Access Paper

The solid state forms of the sex hormone 17-β-estradiol

The crystal structure of the female sex hormone has been established despite its high affinity for water.

Graphical abstract: The solid state forms of the sex hormone 17-β-estradiol
From the themed collection: The Solid State of Pharmaceuticals
Paper

Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons

The various supramolecular synthons are constantly spinning in the crystal world.

Graphical abstract: Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons
From the themed collection: The Solid State of Pharmaceuticals
Paper

Accuracy and reproducibility in crystal structure prediction: the curious case of ROY

Because of excessive electron delocalization, the polymorphs of ROY constitute a surprisingly challenging system for crystal structure prediction.

Graphical abstract: Accuracy and reproducibility in crystal structure prediction: the curious case of ROY
From the themed collection: The Solid State of Pharmaceuticals
Paper

High thermal stability, pH responsive organogels of 2H-benzo[d]1,2,3-triazole derivatives as pharmaceutical crystallization media

2H-Benzo[d]1,2,3-triazole derivatives give rise to a supergelator that results in the crystallization of kinetic form I sulfathiazole.

Graphical abstract: High thermal stability, pH responsive organogels of 2H-benzo[d]1,2,3-triazole derivatives as pharmaceutical crystallization media
From the themed collection: The Solid State of Pharmaceuticals
Paper

Explaining crystallization preferences of two polyphenolic diastereoisomers by crystal structure prediction

Crystal structure prediction is used to understand the differences in crystallization of catechin and epicatechin, and to explore the predictability of solvate formation.

Graphical abstract: Explaining crystallization preferences of two polyphenolic diastereoisomers by crystal structure prediction
From the themed collection: The Solid State of Pharmaceuticals
Paper

Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments

Cocrystal formation of 4-aminobenzoic acid with a variety of pyrimidine, pyridine and benzamide derivatives has been investigated.

Graphical abstract: Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments
From the themed collection: The Solid State of Pharmaceuticals
Paper

Co-crystallization and polymorphic behaviour of 5-fluorouracil

Hydrogen donors and acceptors in 5-fluorouracil allow the formation of co-crystalline compounds with nontoxic co-formers of the GRAS list and an alternative target-oriented synthon approach from methanol or ethanol to form II of 5-fluorouracil is presented.

Graphical abstract: Co-crystallization and polymorphic behaviour of 5-fluorouracil
From the themed collection: The Solid State of Pharmaceuticals
Open Access Paper

Polymorph control in batch seeded crystallizers. A case study with paracetamol

We show that seeding is not always sufficient to control cystal polymorphism and illustrate how kinetic modeling can help controlling polymorphism.

Graphical abstract: Polymorph control in batch seeded crystallizers. A case study with paracetamol
Paper

Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs

The complex between sulfamethazine and saccharine (SMT–SAC) can exist in two polymorphs, one is a cocrystal and the other is a salt.

Graphical abstract: Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs
Paper

On the kinetics of solvate formation through mechanochemistry

We demonstrate that solvates obtained through mechanochemistry are the thermodynamic products, and that the kinetics of solvate formation are related to the easiness of breaking the reactant crystals.

Graphical abstract: On the kinetics of solvate formation through mechanochemistry
From the themed collection: Editor’s Collection: Mechanochemistry
27 items

About this collection

This themed collection focuses on the experimental and computational investigation of crystal polymorphism, solvate and hydrate formation of pharmaceutical compounds. Topics range from the study of nucleation and crystallisation to the discovery, computational prediction and design of new solid forms of drug compounds.

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