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Published on: October 30, 2018
1-Dodecyl-1H-benzo[d]imidazol-2(3H)-one
Dounia Belaziz1, Youssef Kandri Rodi, Fouad Ouazzani Chahdi
1Laboratoire de Chimie Organique Appliquée, Université Sidi Mohamed, Ben Abdallah, Faculté des Sciences et Techniques, Route d'immouzzer, BP 2202 Fès, Morocco.
Acta Crystallographica. Section E, Structure Reports Online
|January 4, 2013
Summary
This study details the crystal structure of a benzimidazolone derivative, revealing a planar fused ring system and an extended dodecyl chain. The molecule forms hydrogen bonds in the crystal, creating inversion dimers.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Benzimidazolone derivatives are important scaffolds in medicinal chemistry.
- Understanding the solid-state structure of these compounds is crucial for drug design.
Purpose of the Study:
- To elucidate the crystal structure of a specific 1-dodecyl-1H-benzo[d]imidazol-2(3H)-one compound.
- To analyze the molecular conformation and intermolecular interactions.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed.
- The crystal structure was solved and refined.
Main Results:
- The fused ring system of the benzimidazolone core is essentially planar.
- The 1-dodecyl chain adopts an extended anti-periplanar conformation, nearly perpendicular to the ring system.
- Intermolecular N-H⋯O hydrogen bonds lead to the formation of inversion dimers in the crystal lattice.
Conclusions:
- The study provides detailed structural information on a functionalized benzimidazolone.
- The observed conformation and hydrogen bonding patterns are important for understanding the compound's properties and potential applications.
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