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Updated: Jun 1, 2026

Preparation of Enantiopure Non-Activated Aziridines and Synthesis of Biemamide B, D, and epiallo-Isomuscarine
Published on: June 13, 2022
1-(2-Phenyl-eth-yl)adamantane
This study details the molecular structure of a novel adamantane derivative, C(18)H(24). The research highlights the compound's unique cage conformation and intermolecular interactions within its crystal lattice.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Adamantane derivatives are valuable in materials science and medicinal chemistry.
- Understanding molecular geometry and crystal packing is crucial for predicting material properties.
Purpose of the Study:
- To elucidate the precise three-dimensional structure of the title compound, C(18)H(24).
- To investigate the conformational preferences of the adamantane cage and its substituents.
- To analyze the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed.
- Geometric parameters, including bond angles and torsion angles, were precisely determined.
- Crystal structure was analyzed for intermolecular forces, such as C-H⋯π interactions.
Main Results:
- The adamantane cage exhibits near-ideal chair conformations with specific C-C-C angles ranging from 108.0(14)° to 111.1(15)°.
- The phenyl and 1-adamantyl groups adopt an anti orientation, indicated by a C-C-C-C torsion angle of 177.10(16)°.
- Molecules are organized into chains along the a axis through weak C-H⋯π interactions.
Conclusions:
- The study provides a detailed structural characterization of the C(18)H(24) compound.
- The observed conformations and intermolecular interactions offer insights into the solid-state behavior of adamantane derivatives.
- Findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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