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Updated: Jun 1, 2026
08:12
A Two-Step Protocol for Umpolung Functionalization of Ketones Via Enolonium Species
Published on: August 16, 2018
4-(4-Meth-oxy-phen-yl)-2-methyl-but-3-yn-2-ol
Frank Eissmann1, Uwe Kafurke, Edwin Weber
1Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Str. 29, D-09596 Freiberg/Sachsen, Germany.
Summary
This study details the molecular structure of a C12H14O2 compound, revealing a nearly planar arrangement. Crystal analysis shows molecules forming strands through hydrogen bonds and weaker intermolecular interactions.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding molecular arrangements is crucial for predicting material properties.
- Intermolecular forces dictate crystal packing and macroscopic behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C12H14O2.
- To analyze the intermolecular interactions responsible for crystal stabilization.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonds and C-H···π interactions was performed.
Main Results:
- The compound C12H14O2 exhibits a nearly coplanar arrangement of key atoms.
- Molecules form 1D strands via O-H···O hydrogen bonds and (aryl)C-H···π(aryl) contacts.
- Weaker (methyl)C-H···π(acetylene) interactions further stabilize the crystal structure.
Conclusions:
- The crystal structure is stabilized by a combination of strong hydrogen bonding and weaker π-stacking interactions.
- The observed molecular planarity and intermolecular contacts provide insights into the compound's solid-state behavior.
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Structure and Bonding
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