Methyl 4′-isobutyl-2,2′-dimethyl-1,3-dioxo-2,3-dihydro-1H,4′H-spiro[isoquinoline-4,5′-oxazole]-4′-carboxylate C19H22N2O5
2011
Crystal Structure of a New Isoquinoline Compound
publication
Evidence: moderate
Author Information
Author(s): Fun Hoong-Kun, Quah Ching Kheng, Xu Kai, Zhang Yan
Primary Institution: Universiti Sains Malaysia
Hypothesis
The title compound may have potential use in biochemical and pharmaceutical fields.
Conclusion
The crystal structure of the title compound reveals a unique molecular conformation and hydrogen bonding interactions.
Supporting Evidence
- The title compound is derived from isoquinoline-1,3,4-trione and oxazoles.
- The N-heterocyclic ring is in a half-boat conformation.
- The dioxa-2-azaspiro ring is essentially planar.
- Molecules are linked via intermolecular hydrogen bonds into chains.
Takeaway
Scientists studied a new chemical compound to see how its atoms are arranged. They found that it has a special shape that might be useful in medicine.
Methodology
The compound was synthesized and purified, followed by X-ray crystallography to determine its structure.
Digital Object Identifier (DOI)
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