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2,3-Dichloro-benzene-1,4-diol
Paul D Ahn1, Roger Bishop, Donald C Craig
1School of Chemistry, University of New South Wales, Sydney 2052, Australia.
Summary
This study details the crystal structure of an achiral compound, C(6)H(4)Cl(2)O(2). Molecular interactions, including hydrogen bonds and halogen bonds, form layered structures and chains.
Area of Science:
- Crystallography
- Solid-state chemistry
- Supramolecular chemistry
Background:
- Understanding intermolecular forces is crucial for predicting and controlling material properties.
- Crystal structure analysis provides fundamental insights into molecular arrangement and interactions.
Purpose of the Study:
- To elucidate the crystal structure of the achiral compound C(6)H(4)Cl(2)O(2).
- To identify and characterize the intermolecular interactions governing the compound's solid-state architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of interatomic distances and angles was performed to identify non-covalent interactions.
Main Results:
- The compound C(6)H(4)Cl(2)O(2) crystallizes with a layered structure.
- O-H⋯O hydrogen bonds link molecules into layers.
- Chains of Cl⋯Cl⋯Cl interactions (3.274(2) and 3.742(2) Å) exist between layers.
- Additional C-H⋯Cl (2.97, 3.17 Å) and Cl⋯π (3.40, 3.54 Å) interactions were observed.
Conclusions:
- The crystal packing of C(6)H(4)Cl(2)O(2) is dictated by a combination of hydrogen bonding, halogen bonding, and other non-covalent interactions.
- These interactions result in a unique layered and chained supramolecular architecture.
- The detailed structural analysis provides a foundation for further studies on related compounds and materials.
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