TY - JOUR
T1 - Can we exchange water in a hydrate structure
T2 - A case study of etoricoxib
AU - Mittapalli, Sudhir
AU - Bolla, Geetha
AU - Perumalla, Sravankumar
AU - Nangia, Ashwini
N1 - Funding Information:
SM, GB and SKP thank the UGC for fellowship. We thank the CSIR Scheme on pharmaceutical polymorphs and cocrystals (02.0223)/15/EMR-II) and JC Bose Fellowship (SR/S2/JCB-06/2009) for funding and the University Grants Commission (UPE) and the Department of Science & Technology (PURSE) for providing instrumentation facilities.
Publisher Copyright:
© The Royal Society of Chemistry 2016.
PY - 2016/4/28
Y1 - 2016/4/28
N2 - Novel crystalline forms of etoricoxib (ETR) with pharmaceutically acceptable coformers (generally regarded as safe, GRAS), such as glutaric acid (1 : 1), adipic acid (2 : 1), suberic acid (1 : 1), and caprolactam, were co-crystallized. The solid forms were prepared from ETR hemihydrate form I and characterized by powder XRD, DSC, and IR, and finally confirmed by single crystal X-ray diffraction. The exchange of water with an organic acid coformer in the crystal structure is explained by lattice energy calculations.
AB - Novel crystalline forms of etoricoxib (ETR) with pharmaceutically acceptable coformers (generally regarded as safe, GRAS), such as glutaric acid (1 : 1), adipic acid (2 : 1), suberic acid (1 : 1), and caprolactam, were co-crystallized. The solid forms were prepared from ETR hemihydrate form I and characterized by powder XRD, DSC, and IR, and finally confirmed by single crystal X-ray diffraction. The exchange of water with an organic acid coformer in the crystal structure is explained by lattice energy calculations.
UR - http://www.scopus.com/inward/record.url?scp=84966318580&partnerID=8YFLogxK
U2 - 10.1039/c6ce00003g
DO - 10.1039/c6ce00003g
M3 - Article
AN - SCOPUS:84966318580
SN - 1466-8033
VL - 18
SP - 2825
EP - 2829
JO - CrystEngComm
JF - CrystEngComm
IS - 16
ER -