Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning

Kunlin Wang, Chenguang Wang, Manish Kumar Mishra, Victor G. Young, Changquan Calvin Sun

Research output: Contribution to journalArticlepeer-review

Abstract

Reversible single-crystal-to-single-crystal phase transformation between two enantiotropic polymorphs of a pharmaceutical salt, diphenhydramine citrate, in both directions is accompanied by a transient expansion in the unit cell, allowing rotation of phenyl rings. Twinning of the lower symmetry polymorph facilitates the exceptional reproducibility and the lack of observable hysteresis in the phase change.

Original languageEnglish (US)
Pages (from-to)2648-2653
Number of pages6
JournalCrystEngComm
Volume23
Issue number14
DOIs
StatePublished - Apr 14 2021

Bibliographical note

Funding Information:
Kunlin Wang was partially supported by the Edward G. Rippie Fellowship and the David J.W. Grant & Marilyn J. Grant Fellowship from the Department of Pharmaceutics, University of Minnesota. Parts of this work were carried out in the Characterization Facility, University of Minnesota, a member of the NSF-funded Materials Research Facilities Network viathe MRSEC program. The Hitachi SU8320 cryoSEM and cryospecimen preparation system were provided by NSF MRI DMR-1229263. We thank the Minnesota Supercomputing Institute (MSI) at the University of Minnesota for providing the resources that contributed to the research results reported within this paper. The Bruker-AXS D8 Venture diffractometer was purchased through a grant from NSF/MRI (#1229400) and the University of Minnesota.

Funding Information:
Kunlin Wang was partially supported by the Edward G. Rippie Fellowship and the David J.W. Grant & Marilyn J. Grant Fellowship from the Department of Pharmaceutics, University of Minnesota. Parts of this work were carried out in the Characterization Facility, University of Minnesota, a member of the NSF-funded Materials Research Facilities Network (www.mrfn.org) via the MRSEC program. The Hitachi SU8320 cryoSEM and cryospecimen preparation system were provided by NSF MRI DMR-1229263. We thank the Minnesota Supercomputing Institute (MSI) at the University of Minnesota for providing the resources that contributed to the research results reported within this paper (http://www.msi. umn.edu). The Bruker-AXS D8 Venture diffractometer was purchased through a grant from NSF/MRI (#1229400) and the University of Minnesota.

Publisher Copyright:
© The Royal Society of Chemistry 2021.

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