Carboxamide–pyridine N-oxide heterosynthon for crystal engineering and pharmaceutical cocrystals

2006 ◽  
pp. 1369 ◽  
Author(s):  
L. Sreenivas Reddy ◽  
N. Jagadeesh Babu ◽  
Ashwini Nangia
Keyword(s):  
Crystal Engineering ◽  
Pharmaceutical Cocrystals

Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs

CrystEngComm ◽  
2012 ◽  
Vol 14 (7) ◽  
pp. 2377-2380 ◽  
Author(s):  
David R. Weyna ◽  
Miranda L. Cheney ◽  
Ning Shan ◽  
Mazen Hanna ◽  
Łukasz Wojtas ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Engineering ◽  
Organic Solids ◽  
Pharmaceutical Cocrystals ◽  
Multiple Component

Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization

CrystEngComm ◽  
2015 ◽  
Vol 17 (48) ◽  
pp. 9323-9335 ◽  
Author(s):  
Srinivasulu Aitipamula ◽  
Lucy K. Mapp ◽  
Annie B. H. Wong ◽  
Pui Shan Chow ◽  
Reginald B. H. Tan
Keyword(s):  
Crystal Engineering ◽  
Physicochemical Characterization ◽  
Pharmaceutical Cocrystals

scholarly journals Cocrystals: A Review of Recent Trends in Pharmaceutical and Material Science Applications

2017 ◽  
Vol 14 (1) ◽  
pp. 09-18 ◽  
Author(s):  
Manjunath Javoor ◽  
Pradip Mondal ◽  
Deepak Chopra
Keyword(s):  
Charge Transfer ◽  
Physicochemical Properties ◽  
Supramolecular Chemistry ◽  
Crystal Engineering ◽  
Material Science ◽  
Molecular Crystals ◽  
Short Review ◽  
Pharmaceutical Cocrystals ◽  
Promising Area ◽  
Recent Trends

Over the last two decades, the design of multicomponent molecular crystals or cocrystals has grown out to be an interesting and promising area of research in pharmaceuticals and material science. Cocrystallization is at the interface of crystal engineering and supramolecular chemistry and allows us to vary the physicochemical properties of solids according to the need, through manipulation of various intermolecular interactions. In this short review, we focus on some recent reports on pharmaceutical cocrystals and emerging subclasses of cocrystals, namely: Charge transfer cocrystals, Energetic cocrystals, and Ternary cocrystals and discuss about their methods of characterization and applications of importance in the industry.

Template mediated crystal engineering

1994 ◽  
Vol 52 ◽  
pp. 480-481
Author(s):  
Brigid R. Heywood ◽  
S. Champ
Keyword(s):  
Crystal Engineering ◽  
Electrostatic Interactions ◽  
Alkyl Chain ◽  
Crystallographic Axis ◽  
Two Dimensional ◽  
Engineering Process ◽  
Solution Interface ◽  
Extensive Program ◽  
Geometric Homology ◽  
Long Alkyl Chain

Recent work on the crystallisation of inorganic crystals under compressed monomolecular surfactant films has shown that two dimensional templates can be used to promote the oriented nucleation of solids. When a suitable long alkyl chain surfactant is cast on the crystallisation media a monodispersied population of crystals forms exclusively at the monolayer/solution interface. Each crystal is aligned with a specific crystallographic axis perpendicular to the plane of the monolayer suggesting that nucleation is facilitated by recognition events between the nascent inorganic solid and the organic template.For example, monolayers of the long alkyl chain surfactant, stearic acid will promote the oriented nucleation of the calcium carbonate polymorph, calcite, on the (100) face, whereas compressed monolayers of n-eicosyl sulphate will induce calcite nucleation on the (001) face, (Figure 1 & 2). An extensive program of research has confirmed the general principle that molecular recognition events at the interface (including electrostatic interactions, geometric homology, stereochemical complementarity) can be used to promote the crystal engineering process.

The Simplest Patterns of Interpenetrated Honeycomb Layers – Counter examples to the Minimal Transitivity Principle?

2018 ◽  
Author(s):  
Igor Baburin
Keyword(s):  
Crystal Engineering ◽  
Structural Chemistry ◽  
Broad Context ◽  
Rigorous Derivation ◽  
New Approach

The paper calls attention to the most symmetric interpenetration patterns of honeycomb layers. To the best of my knowledge, such patterns remained unknown so far. In my contribution a rigorous derivation of such patterns is given that makes use of a new approach to interpenetrating nets. The results are presented in a broad context of structural chemistry and crystal engineering.

Crystal Engineering of Bi2WO6 to Polar Aurivillius-Phase Oxyhalides

2019 ◽  
Author(s):  
Kazuki Morita ◽  
Ji-Sang Park ◽  
Sunghyun Kim ◽  
Kenji Yasuoka ◽  
Aron Walsh
Keyword(s):  
Photocatalytic Activity ◽  
Crystal Engineering ◽  
First Principles ◽  
Parent Compound ◽  
Aurivillius Phase ◽  
Aurivillius Phases ◽  
Charge Neutrality ◽  
Bismuth Oxides ◽  
Structure Surface ◽  
Electric Dipoles

The Aurivillius phases of complex bismuth oxides have attracted considerable attention due to their lattice polarization (ferroelectricity) and photocatalytic activity. We report a first-principles exploration of Bi<sub>2</sub>WO<sub>6</sub> and the replacement of W<sup>6+</sup> by pentavalent (Nb<sup>5+</sup>, Ta<sup>5+</sup>) and tetravalent (Ti<sup>4+</sup>, Sn<sup>4+</sup>) ions, with charge neutrality maintained by the formation of a mixed-anion oxyhalide sublattice. We find that Bi<sub>2</sub>SnO<sub>4</sub>F<sub>2</sub> is thermodynamically unstable, in contrast to Bi<sub>2</sub>TaO<sub>5</sub>F, Bi<sub>2</sub>NbO<sub>5</sub>F and Bi<sub>2</sub>TiO<sub>4</sub>F<sub>2</sub>. The electric dipoles introduced by chemical substitutions in the parent compound are found to suppress the spontaneous polarization from 61.55 μC/cm<sup>2</sup> to below 15.50 μC/cm<sup>2</sup>. Analysis of the trends in electronic structure, surface structure, and ionization potentials are reported. This family of materials can be further extended with control of layer thicknesses and choice of compensating halide species.<br>

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