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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
trans-2-(2-Nitro-1-phenyl-eth-yl)cyclo-hexa-none
Ivo Zenz1, Herbert Mayr, Peter Mayer
1Ludwig-Maximilians-Universität, Department, Butenandtstrasse 5-13, 81377 München, Germany.
Summary
This study details the crystal structure of a novel organic compound, C(14)H(17)NO(3). The research highlights the molecule's unique structural features and intermolecular interactions in its crystalline state.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides precise details about molecular geometry and intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(14)H(17)NO(3).
- To characterize the spatial relationship between the phenyl and cyclohexyl rings.
- To identify and describe the intermolecular interactions present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Geometric analyses were performed to quantify bond lengths, bond angles, and dihedral angles.
- Intermolecular interactions, such as hydrogen bonds, were identified and analyzed.
Main Results:
- The crystal structure of C(14)H(17)NO(3) was successfully determined.
- An angle of 89.14(6)° was measured between the phenyl ring plane and the cyclohexyl moiety plane.
- The cyclohexyl ring adopted a chair conformation.
- Molecules are interconnected by weak C-H⋯O bonds, with nitro-O atoms involved in two such interactions.
Conclusions:
- The crystal packing of C(14)H(17)NO(3) is governed by specific intermolecular C-H⋯O hydrogen bonds.
- The observed molecular conformation and interactions provide insights into the solid-state behavior of this organic compound.
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