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Updated: May 31, 2026
08:46
Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of Phosphorus(I)
Published on: November 22, 2016
Bis[2-bromo-4-(2-hy-droxy-eth-yl)phenol] monohydrate
Summary
This study details the crystal structure of a brominated organic compound, revealing specific molecular conformations and intermolecular hydrogen bonding. The findings illustrate how these interactions form polymeric chains in the solid state.
Area of Science:
- Crystallography and Molecular Structure
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Intermolecular forces, such as hydrogen bonding, play a significant role in dictating crystal packing and material properties.
Purpose of the Study:
- To determine the precise crystal structure of the title compound, 2C(8)H(9)BrO(2)·H(2)O.
- To analyze the key torsion angles within the molecule, specifically focusing on the hydroxy-ethyl and bromo-phenol groups.
- To investigate the nature of intermolecular interactions, including hydrogen bonding, that govern the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to obtain the detailed molecular structure.
- Analysis of crystallographic data allowed for the precise determination of bond lengths, bond angles, and torsion angles.
- Identification and characterization of hydrogen bonding networks within the crystal structure.
Main Results:
- Two independent molecules were identified in the crystal unit cell, exhibiting slight variations in their conformations.
- Specific torsion angles for the hydroxy-ethyl group (around 61.5-61.7°) and the bromo-phenol moiety (around 0.2-0.7°) were quantified.
- The crystal structure is characterized by the formation of polymeric chains through intermolecular O-H⋯O and O-H⋯Br hydrogen bonds.
Conclusions:
- The crystal structure of 2C(8)H(9)BrO(2)·H(2)O reveals distinct molecular conformations influenced by torsion angles.
- Intermolecular hydrogen bonding is the primary driving force for the assembly of molecules into a one-dimensional polymeric chain.
- These findings contribute to the understanding of structure-property relationships in halogenated organic compounds.
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