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Redetermination of 1,4-dimethoxy-benzene
Summary
This study precisely redetermined the crystal structure of a centrosymmetric compound, C(8)H(10)O(2). This provides a valuable model for advanced nuclear magnetic resonance (NMR) studies.
Area of Science:
- Crystallography
- Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy
Background:
- The crystal structure of C(8)H(10)O(2) was initially reported by Goodwin et al. in 1950.
- Precise structural data is crucial for various applications in materials science and chemistry.
Purpose of the Study:
- To re-evaluate the crystal structure of C(8)H(10)O(2) using modern crystallographic techniques.
- To establish a reliable model compound for (13)C chemical-shift tensor measurements in single-crystal NMR studies.
Main Methods:
- Single-crystal X-ray diffraction.
- Refinement of crystallographic data to high precision.
Main Results:
- A precise redetermination of the centrosymmetric crystal structure of C(8)H(10)O(2).
- Identification of a C-H⋯O interaction contributing to the crystal packing.
Conclusions:
- The redetermined structure offers enhanced accuracy for its use as a model compound.
- This work facilitates advancements in (13)C chemical-shift tensor analysis using NMR.
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