Treffer: Combinatorial Exploration of the Structural Landscape of Acid-Pyridine Cocrystals

Title:
Combinatorial Exploration of the Structural Landscape of Acid-Pyridine Cocrystals
Authors:
MUKHERJEE, Arijit, DESIRAJU, Gautam R
Source:
Crystal growth & design. 14(3):1375-1385
Publisher Information:
Washington,DC: American Chemical Society, 2014.
Publication Year:
2014
Physical Description:
print, 36 ref
Original Material:
INIST-CNRS
Subject Terms:
Crystallography, Cristallographie cristallogenèse, Sciences exactes et technologie, Exact sciences and technology, Physique, Physics, Etat condense: structure, proprietes mecaniques et thermiques, Condensed matter: structure, mechanical and thermal properties, Structure des liquides et des solides; cristallographie, Structure of solids and liquids; crystallography, Bases de données cristallographiques, Crystallographic databases, Acide benzoïque, Benzoic acid, Base de données, Database, Base dato, Cocristal, Cocrystal, Cristallographie, Crystallography, Méthode combinatoire, Combinatorial method, Método combinatorio, Méthode matricielle, Matrix method, Método matriz, Pyridine, Synthon
Time:
6168
Document Type:
Fachzeitschrift Article
File Description:
text
Language:
English
Author Affiliations:
Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India
ISSN:
1528-7483
Access URL:
http://pascal-francis.inist.fr/vibad/index.php?action=search&terms=28362558
Rights:
Copyright 2015 INIST-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Notes:
Physics of condensed state: structure, mechanical and thermal properties
Accession Number:
edscal.28362558
Database:
PASCAL Archive

Weitere Informationen

The structural landscape of acid-pyridine cocrystals is explored by adopting a combinatorial matrix method with 4-substituted benzoic acids and 4-substituted pyridines. The choice of the system restricts the primary synthon to the robust acid—pyridine entity. This methodology accordingly provides hints toward the formation of secondary synthons. The pKa rule is validated in the landscape by taking all components of the matrix together and exploring it as a whole. Along with the global features, the exploration of landscapes reveals some local features. Apart from the identification of secondary synthons, it also sheds light on the propensity of hydration in cocrystals, synthon competition, and certain topological similarities. The method described here combines two approaches, namely, database analysis and high throughput crystallography, to extract more information with minimal extra experimental effort.