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Z' = 4 structure without obvious pseudosymmetry: implications for the formation of solid-state compounds.
Hans-Joachim Lehmler1, Larry W Robertson, Sean Parkin
1Graduate Center for Toxicology, University of Kentucky, Lexington, KY 40536-0305, USA.
Acta Crystallographica. Section B, Structural Science
|January 31, 2002
Summary
This study reveals that 4-chloro-2'-biphenylol crystals exhibit loose packing due to steric hindrance and twisted fragments. Molecules crystallizing with multiple independent units (Z' > 1) may form novel solid-state compounds.
Area of Science:
- Crystallography
- Solid-state chemistry
- Organic chemistry
Background:
- Crystals with multiple independent molecules (Z > 1) often display pseudosymmetry.
- Efficient crystal packing is crucial for material properties and solid-state reactions.
Purpose of the Study:
- To investigate the crystal structure and packing of 4-chloro-2 -biphenylol.
- To understand the factors influencing crystal packing and the formation of hydrogen-bonded networks in complex organic molecules.
Main Methods:
- Single-crystal X-ray diffraction at various temperatures (293 K and 142 K).
- Analysis of crystal packing, hydrogen bonding, and molecular symmetry.
Main Results:
- 4-chloro-2 -biphenylol crystals exhibit loose packing with four independent molecules (Z = 4).
- Hydrogen bonding forms OH.O bonded tetramers, but pseudosymmetry is absent.
- Steric congestion and biphenyl fragment twisting impede dense packing.
Conclusions:
- The inefficient packing arises from steric and conformational challenges.
- The unique orientation of one molecule deviates from typical biphenyl patterns.
- Molecules with Z > 1 are promising candidates for solid-state compound formation.