Quinine di-hydro-chloride hemihydrate

Grace I Anderson; Sophia Bellia; Matthias Zeller; Patrick C Hillesheim; Arsalan Mirjafari

doi:10.1107/S2414314621004065

Quinine di-hydro-chloride hemihydrate

IUCrdata. 2021 Apr 23;6(Pt 4):x210406. doi: 10.1107/S2414314621004065. eCollection 2021 Apr.

Authors

Grace I Anderson¹, Sophia Bellia², Matthias Zeller³, Patrick C Hillesheim², Arsalan Mirjafari¹

Affiliations

¹ Department of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, FL, 33965, USA.
² Ave Maria University, Department of Chemistry and Physics, 5050 Ave Maria Blvd, Ave Maria FL, 34142, USA.
³ Purdue University, Department of Chemistry, 560 Oval Drive, West Lafayette, Indiana USA, 47907, USA.

Abstract

Numerous non-covalent inter-actions link together discrete mol-ecules in the crystal structure of the title compound, 2C₂₀H₂₆N₂O₂ ²⁺·4Cl^-·H₂O {systematic name: 4-[(5-ethenyl-1-azonia-bicyclo-[2.2.2]octan-2-yl)(hy-droxy)meth-yl]-6-meth-oxy-quinolin-1-ium dichloride hemihydrate}. A combination of hydrogen bonding between acidic H atoms and the anions in the asymmetric unit forms a portion of the observed hydrogen-bonded network. π-π inter-actions between the aromatic portions of the cation appear to play a role in the formation of the long-range ordering. One ethyl-ene double bond was found to be disordered. The disorder extends to the neighboring carbon and hydrogen atoms.

Keywords: crystal structure; hydrogen bonding; ionic compound.

Grants and funding

Funding for this research was provided by: National Science Foundation (grant Nos. CHE-1625543, CHE-1952846 and CHE-1919785); Ave Maria University Department of Chemistry and Physics.