2-{[3-Methyl-4-(2,2,2-trifluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-benzimidazole monohydrate
2011

Crystal Structure of a Benzimidazole Compound

publication Evidence: high

Author Information

Author(s): Ren Guo-Bin, Hong Ming-Huang, Zhong Jia-Liang, Yi Dong-Xu, Xu Le-Hui

Primary Institution: Shanghai Institute of Pharmaceutical Industry

Hypothesis

The study aims to elucidate the crystal structure of a benzimidazole compound that is an intermediate in the synthesis of the anti-ulcer drug lansoprazole.

Conclusion

The crystal structure reveals two independent molecules and two water molecules involved in hydrogen bonding, contributing to the compound's stability.

Supporting Evidence

  • The study provides detailed crystallographic data, including molecular conformations and hydrogen bonding interactions.
  • The compound is identified as an important intermediate in the synthesis of the anti-ulcer drug lansoprazole.
  • Two independent molecules and two water molecules were found in the asymmetric unit of the crystal structure.

Takeaway

The researchers looked at how a specific chemical compound is arranged in a crystal, which helps in understanding how it might work as a medicine.

Methodology

The compound was crystallized from acetonitrile through slow evaporation, and its structure was determined using X-ray diffraction.

Digital Object Identifier (DOI)

10.1107/S1600536810053730

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