(S)-2-(1-Hydroxy-ethyl)benzimid-azolium dihydrogen phosphate
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Summary
This study details the crystal structure of a novel benzimidazolium compound. Its three-dimensional network is formed through extensive hydrogen bonding, revealing its specific S configuration.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Benzimidazolium compounds are important in various chemical applications.
- Understanding the crystal packing and hydrogen bonding is crucial for predicting material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(9)H(11)N(2)O(+)·H(2)PO(4) (-).
- To determine the configuration and analyze the hydrogen bonding network within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Refinement of the Flack parameter was used to confirm the absolute configuration.
- Analysis of intermolecular interactions, including hydrogen bonds, was performed.
Main Results:
- The asymmetric unit contains a 2-(1-hydroxy-ethyl)benzimidazolium cation and a dihydrogen phosphate anion.
- The cation and anion are linked by an N-H⋯O hydrogen bond.
- Intermolecular O-H⋯O and N-H⋯O hydrogen bonds form an extended three-dimensional network.
- The compound adopts the S configuration, confirmed by crystallographic data.
Conclusions:
- The crystal structure reveals a well-defined hydrogen-bonding network that dictates the supramolecular architecture.
- The determined S configuration provides insight into the stereochemistry of the synthesized compound.
- This structural information is valuable for the design and application of related benzimidazolium derivatives.
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