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Updated: May 31, 2026
12:06
Synthesis of High Purity Nonsymmetric Dialkylphosphinic Acid Extractants
Published on: October 19, 2017
Redetermination of 3,5-dimethyl-phenol.
Richard Betz1, Cedric McCleland, Harold Marchand
1Nelson Mandela Metropolitan University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth 6031, South Africa.
Summary
This study determined the crystal structure of C(8)H(10)O, revealing two molecules in the asymmetric unit. These molecules form hydrogen-bonded chains in the crystal structure, with no observed aromatic π-π stacking.
Area of Science:
- Crystallography
- Solid-state chemistry
Background:
- Previous structural determination of C(8)H(10)O by Gillier-Pandraud et al. (1972) did not provide atomic coordinates.
- Understanding the precise molecular and crystal structure is crucial for predicting material properties.
Purpose of the Study:
- To determine and report the atomic coordinates of the title compound, C(8)H(10)O.
- To elucidate the intermolecular interactions and packing in the crystal structure.
- To analyze the symmetry and geometric parameters of the molecules in the asymmetric unit.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined to obtain atomic coordinates.
- Analysis of bond lengths, bond angles, and intermolecular interactions was performed.
Main Results:
- The crystal structure of C(8)H(10)O was determined, revealing two molecules (A and B) in the asymmetric unit.
- Both molecules exhibit approximate non-crystallographic C(s) symmetry.
- Intra-cyclic C-C-C angles range from 118.74(12)° to 121.76(13)°.
- Molecules are linked by O-H⋯O hydrogen bonds, forming [001] C(2)(2)(4) chains with alternating A and B molecules.
- No aromatic π-π stacking was observed, with the shortest centroid-centroid distance exceeding 4.74 Å.
Conclusions:
- The detailed crystal structure and atomic coordinates of C(8)H(10)O are now available.
- The hydrogen bonding network dictates the crystal packing, forming characteristic chains.
- The absence of π-π stacking is a significant feature of this crystal structure.
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