Diethyl indolizine-1,3-dicarboxyl-ate

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• 1,3-dipolar cyclo-addition reactions are fundamental in organic synthesis.
• Understanding molecular interactions is key to designing new materials.
• Pyridinium salts are versatile building blocks in chemical synthesis.

Purpose of the Study:

• To synthesize and characterize a novel compound C(14)H(15)NO(4).
• To investigate the crystal structure and intermolecular interactions of the synthesized compound.

Main Methods:

• 1,3-dipolar cyclo-addition reaction between N-(ethoxy-carbonyl-methyl)pyridinium bromide and ethyl acrylate.
• X-ray crystallography to determine the molecular and crystal structure.
• Analysis of dihedral angles and intermolecular C-H⋯O interactions.

Main Results:

• Successful synthesis of the title compound C(14)H(15)NO(4).
• The -CO(2) side chains exhibit small dihedral angles (0.2° and 2.4°) relative to the ring.
• The crystal structure features dimers formed by weak C-H⋯O interactions.
• These dimers further assemble into a three-dimensional network through additional C-H⋯O bonds.

Conclusions:

• The study successfully synthesized a new organic compound.
• The crystal packing is governed by weak hydrogen bonding interactions, leading to dimer and 3D network formation.
• This work contributes to the understanding of structure-property relationships in organic crystals.