Bis(paracetamol) Pyridine - a New Elusive Paracetamol Solvate: From Modeling the Phase Diagram to Successful Single-Crystal Growth and Structure-Property Relations | Sciact - CRIS-system of Boreskov Institute of Catalysis

Bis(paracetamol) Pyridine - a New Elusive Paracetamol Solvate: From Modeling the Phase Diagram to Successful Single-Crystal Growth and Structure-Property Relations Full article

Journal

CrystEngComm
ISSN: 1466-8033

Output data

Year: 2015, Volume: 17, Number: 39, Pages: 7543-7550 Pages count : 8 DOI: 10.1039/c5ce01213a

Tags

CO-CRYSTALS; VARIABLE-TEMPERATURE; COCRYSTAL FORMATION; CARBOXYLIC-ACIDS; PHARMACEUTICAL COCRYSTALS; HYDROGEN-BONDS; HIGH-PRESSURE; CRYSTALLIZATION; ACETAMINOPHEN; POLYMORPHS

Authors

Zakharov Boris A. ^1,2 , Ogienko Andrey G. ^2,3 , Yunoshev Alexander S. ^2,4 , Ancharov Alexey I. ^1,2,5 , Boldyreva Elena V. ^1,2

Affiliations

1	Institute of Solid State Chemistry and Mechanochemistry SB RAS, 630128, Kutateladze Street 18, Novosibirsk, Russian Federation
2	Novosibirsk State University, 630090, Pirogova Street 2, Novosibirsk, Russian Federation
3	Nikolaev Institute of Inorganic Chemistry SB RAS, 630090, Pr. Ac. Lavrentyeva 3, Novosibirsk, Russian Federation
4	Lavrentyev Institute of Hydrodynamics SB RAS,630090, Pr. Ac. Lavrentyeva 15, Novosibirsk, Russian Federation
5	Budker Institute of Nuclear Physics SB RAS,630090, Pr. Ac. Lavrentyeva 11, Novosibirsk, Russian Federation

Multi-component crystals-salts, co-crystals, or solvates-are usually designed based on the analysis of the complementarity of functional groups and intermolecular interactions of the components. However, no crystal design can do without a practical method of crystal growth. Not all compounds that should be expected to exist based on the "synthon approach" can be prepared in real experiments. This paper aims to illustrate that, in addition to the synthon approach, it is equally important to take into account phase diagrams when searching for practical methods of crystallising multi-component crystals, either as single crystals or as fine particles. Here, we describe the crystallization of a bis(paracetamol) pyridine solvate from a glass-like metastable phase produced by quench-freezing of a paracetamol-pyridine solution with subsequent low-temperature annealing. These procedures must be carried out strictly within the boundaries of the two-phase region "solid solvate + liquor", which was found only as a result of modelling the phase diagram. The crystal structure was solved by single-crystal X-ray diffraction and compared with co-crystals of paracetamol found in the Cambridge Structural Database. The structure-forming role of the intermolecular interactions and their characteristics were studied by variable-temperature experiments over the range of 100-275 K. This was compared with the structures of pure paracetamol polymorphs and other solvates and co-crystals at ambient and non-ambient conditions.

Zakharov B.A. , Ogienko A.G. , Yunoshev A.S. , Ancharov A.I. , Boldyreva E.V.
Bis(paracetamol) Pyridine - a New Elusive Paracetamol Solvate: From Modeling the Phase Diagram to Successful Single-Crystal Growth and Structure-Property Relations
CrystEngComm. 2015. V.17. N39. P.7543-7550. DOI: 10.1039/c5ce01213a WOS Scopus РИНЦ AN OpenAlex

Submitted:	Jun 23, 2015
Accepted:	Aug 26, 2015
Published online:	Aug 27, 2015

Web of science:	WOS:000362351900015
Scopus:	2-s2.0-84942926002
Elibrary:	24957001
Chemical Abstracts:	2015:1415871
OpenAlex:	W1830589980

DB	Citing
Web of science	8
Scopus	8
OpenAlex	7