Ethyl (2E)-2-(2H-1,3-benzodioxol-5-ylmethylidene)-4-chloro-3-oxobutanoate
2011

Study of a New Organic Compound

publication Evidence: moderate

Author Information

Author(s): Julio Zukerman-Schpector, Siti Nadiah Abd Salim, Paulo J. S. Moran, Bruno R. S. de Paula, J. Augusto R. Rodrigues, Edward R. T. Tiekink

Primary Institution: Universidade Federal de São Carlos

Hypothesis

The study investigates the crystal structure and interactions of ethyl (2E)-2-(2H-1,3-benzodioxol-5-ylmethylidene)-4-chloro-3-oxobutanoate.

Conclusion

The compound exhibits a unique crystal structure with specific molecular interactions that form a two-dimensional array.

Supporting Evidence

  • The compound was synthesized from ethyl 4-chloroacetoacetate and piperonal.
  • The five-membered ring of the compound is in an envelope conformation.
  • The crystal structure shows C—H⋯O interactions that create a two-dimensional array.

Takeaway

Scientists made a new chemical and looked at how its tiny parts fit together and interact, which helps us understand its properties better.

Methodology

The compound was synthesized using a Knoevenagel condensation reaction and analyzed through crystallography.

Digital Object Identifier (DOI)

10.1107/S1600536811011780

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