Studies on the crystal structure and arrangement of water in sitagliptin L-tartrate hydrates

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F16%3A43902264" target="_blank" >RIV/60461373:22310/16:43902264 - isvavai.cz</a>

Alternative codes found

RIV/68378271:_____/16:00465081

Result on the web

<a href="http://dx.doi.org/10.1039/c6ce00322b" target="_blank" >http://dx.doi.org/10.1039/c6ce00322b</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c6ce00322b" target="_blank" >10.1039/c6ce00322b</a>

Result language

angličtina

Original language name

Studies on the crystal structure and arrangement of water in sitagliptin L-tartrate hydrates

Original language description

The hydration/dehydration behavior of four distinct channel hydrates of sitagliptin L-tartrate (SLT) was investigated by thermoanalytical methods, dynamic vapour sorption analysis and variable humidity X-ray powder diffraction. The crystal structures were determined from single crystal and powder X-ray diffraction data. A survey of the forms revealed that SLT hydrates exhibit both stoichiometric and non-stoichiometric features demonstrating that the characterization of channel hydrates can be challenging as their behavior is not inevitably unambiguous. Upon dehydration, the parent hydrates retain their structures, and the lattices do not collapse; isostructural dehydrates are formed. The solved crystal structures of the packing polymorphs SLT phase 1 and phase 2 provide an effective basis to rationalize the observed hydration/dehydration pathways. The structures are dominated by infinite sheets formed by hydrogen tartrate anions, linked by hydrogen bonds. These layers separate the parallel, infinite chains of water molecules. The water molecules stabilize the structures by providing additional hydrogen bonds between the cation and the anion. This interaction substantiates the high affinity of water molecules to the API framework and explains the stoichiometric characteristics observed by solid state analytical methods. On the other hand, their non-stoichiometric character is evidenced by the non-destructive dehydration processes.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

FR - Pharmacology and apothecary chemistry

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

CrystEngComm

ISSN

1466-8033

e-ISSN

—

Volume of the periodical

2016

Issue of the periodical within the volume

18

Country of publishing house

GB - UNITED KINGDOM

Number of pages

13

Pages from-to

3819-3831

UT code for WoS article

000377085700009

EID of the result in the Scopus database

2-s2.0-84971669228