Optimized multi-step NMR-crystallography approach for structural characterization of a stable quercetin solvate.
Herein we report the preparation and solid state structural investigation of the 1,4-dioxane-quercetin solvate. NMR crystallography methods were employed for crystal structure determination of the solvate from microcrystalline powder. The stability of the compound relative to other reported quercetin solvates is discussed and found to be in perfect agreement with the hydrogen bonding networks/supra-molecular architectures formed in each case. It is also clearly shown that NMR crystallography represents an ideal analytical tool in such cases when hydrogen-bonding networks are required to be constrained at a high accuracy level.
National Institute for Research and Development of Isotopic and Molecular Technologies, 400293, Cluj-Napoca, Romania.
Xenia
X
Filip
National Institute for Research and Development of Isotopic and Molecular Technologies, 400293, Cluj-Napoca, Romania; Babeş-Bolyai University, Faculty of Physics, Mihail Kogalniceanu, no. 1, RO-400084, Cluj-Napoca, Romania.
Maria
M
Miclaus
National Institute for Research and Development of Isotopic and Molecular Technologies, 400293, Cluj-Napoca, Romania.
Flavia
F
Martin
National Institute for Research and Development of Isotopic and Molecular Technologies, 400293, Cluj-Napoca, Romania.
Claudiu
C
Filip
National Institute for Research and Development of Isotopic and Molecular Technologies, 400293, Cluj-Napoca, Romania. Electronic address: ioana.grosu@itim-cj.ro.
Ioana Georgeta
IG
Grosu
D003460:Crystallization / Q000379:methods; D018360:Crystallography, X-Ray / Q000379:methods*; D004146:Dioxanes / Q000737:chemistry; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D033362:Powder Diffraction / Q000379:methods; D011208:Powders / Q000737:chemistry; D011794:Quercetin / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry
D004146:Dioxanes; D011208:Powders; D012997:Solvents; D011794:Quercetin; C025223:1,4-dioxane
NMR crystallography; Quercetin; Solvate