4-(3-Fluoro­phen­yl)-6-hy­droxy-5-(thio­phen-2-ylcarbon­yl)-6-trifluoro­methyl-1,3-diazinan-2-one
2011

Study of a New Organic Compound

publication Evidence: moderate

Author Information

Author(s): He Qin, Li Jing, Huang Bao-Jun

Primary Institution: Xuchang University

Hypothesis

The title compound, an intermediate C16H12F4N2O3S, was isolated and its structure confirmed by X-ray diffraction.

Conclusion

The molecular conformation of the compound is stabilized by intramolecular hydrogen bonds.

Supporting Evidence

  • The dihydropyrimidine ring adopts a half-chair conformation.
  • The dihedral angles between the rings were measured.
  • The molecular conformation is stabilized by an intramolecular O—H⋯O hydrogen bond.

Takeaway

Scientists created a new chemical compound and used X-ray to see its structure, which is held together by special bonds.

Methodology

The compound was synthesized by refluxing a mixture of specific chemicals in ethanol and then recrystallized.

Digital Object Identifier (DOI)

10.1107/S1600536811006933

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