Organic Papers
2011

Crystal Structure of 2-Ethyl-1H-imidazole-4-carboxylate Monohydrate

publication Evidence: high

Author Information

Author(s): Li Shi-Jie, Liu Juan-Hua, Song Wen-Dong, Li Xiao-Fei, Miao Dong-Liang

Primary Institution: Guangdong Ocean University

Hypothesis

The study aims to determine the crystal structure of the 2-ethyl-1H-imidazole-4-carboxylate ligand.

Conclusion

The compound crystallizes as a zwitterion with specific hydrogen bonding interactions stabilizing its structure.

Supporting Evidence

  • The imidazole N atom is protonated while one carboxylate group is deprotonated, forming a zwitterion.
  • The two carboxyl groups are approximately coplanar with the imidazole ring.
  • Hydrogen bonds stabilize the three-dimensional network of the crystal structure.

Takeaway

The researchers figured out how a specific chemical compound is structured, which helps us understand how it behaves.

Methodology

The compound was synthesized and its crystal structure was analyzed using X-ray diffraction.

Digital Object Identifier (DOI)

10.1107/S1600536811010774

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