Dealing with Crystal Forms (The Kingdom of Serendip?)

Braga, Dario; D’Agostino, Simone; Dichiarante, Elena; Maini, Lucia; Grepioni, Fabrizia

doi:10.1002/asia.201100084

Cited by 34 publications

(24 citation statements)

References 82 publications

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“…The idea of engineering co-crystals serves the purpose of building large solid-state structures without the hassles of covalent synthesis. The synthon that is formed between carboxylic acids and pyridine moieties is one of the most exploited synthon for designing co-crystals (Braga et al, 2011). In this contribution, we present the crystal structure of the phthalic acid and 1,3-bis(4-pyridyl)-propane (bpp) co-crystal.…”

Section: Methodsmentioning

confidence: 99%

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4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate

Xu¹,

Qi²

2012

Acta Cryst E

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In the title molecular salt, C13H15N2 +·C8H5O4 −, the 2-carboxybenzoate anions are joined into a chain along [010] by strong O—H⋯O hydrogen bonds, with the H atoms disordered about the intervening centres of inversion. The presence of N—H⋯O hydrogen bonds between cations generates an additional chain along [010] and parallel to that of the anions. The chains are assembled into a three-dimensional framework via weak C—H⋯O interchain interactions. In the cation, thee dihedral angle between the pyridine rings is 48.91 (4)°.

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Section: Methodsmentioning

confidence: 99%

“…For the design of co-crystals, see: Callear et al (2010); Braga et al (2011). Table 1 Hydrogen-bond geometry (Å , ).…”

Section: Related Literaturementioning

confidence: 99%

4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate

Xu¹,

Qi²

2012

Acta Cryst E

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“…Intermolecular and interionic interactions determine also crystal stability and cohesion and the possible existence of different crystal structures for a same molecular unit, viz. crystal polymorphism . The periphery of organometallic and coordination complexes is most generally constituted by “organic‐type” atoms and functional groups, which, in terms of intermolecular interactions (van der Waals, dipole–dipole, hydrogen bonds, etc.…”

Section: Conclusion and A Look Forwardmentioning

confidence: 99%

From Solid‐State Structure and Dynamics to Crystal Engineering

et al. 2018

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The investigation of the factors responsible for the stability of the diverse crystal forms that a given molecule can adopt in the solid state (polymorphs, hydrates, cocrystals, etc.) requires an appreciation of the relationship between static and dynamic behavior of atoms and molecules about equilibrium and far from equilibrium positions in the crystal structure. This is particularly relevant when dealing with molecules that are structurally nonrigid at ambient conditions in other media (solution, gas phase). The ease of motion of molecules in molecular crystals depends on the distribution of first neighboring molecules and on the network of intermolecular interactions, which are, in turn, also responsible for the relative thermodynamic stability of solid phases. The knowledge of the intermolecular interactions and of their interplay with the ionic char- [a]

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“…Salification of a drug substance, a crucial step in drug development, can have a huge impact on its properties, including solubility, dissolution rate, hygroscopicity, stability, impurity profile and particle characteristics [11]. The investigation of crystal forms represents nowadays a large portion of the experimental and theoretical work in the domain of crystal engineering, with considerable ramifications in different areas of solid‐state chemistry [12–15]…”

Section: Introductionmentioning

confidence: 99%