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Updated: May 22, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
N-(2,6-Dimethyl-phen-yl)-2,2-diphenyl-acetamide
Summary
This study details the molecular structure of a novel organic compound, C(22)H(21)NO. Analysis reveals specific dihedral angles between phenyl rings and intermolecular hydrogen bonding in its crystal form.
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 geometric information, including bond lengths, angles, and intermolecular interactions.
Purpose of the Study:
- To elucidate the detailed molecular and crystal structure of the title compound, C(22)H(21)NO.
- To quantify the dihedral angles between the phenyl rings and the dimethyl-benzene ring.
- To identify and describe intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Geometric parameters, including dihedral angles, were precisely calculated from the diffraction data.
- Analysis of intermolecular interactions, such as hydrogen bonds and C-H···π interactions, was performed.
Main Results:
- The dihedral angle between the two phenyl rings in C(22)H(21)NO was determined to be 82.59(7)°.
- The dimethyl-benzene ring exhibited dihedral angles of 52.86(4)° and 49.65(5)° with the two phenyl rings.
- Molecules are interconnected via N-H⋯O hydrogen bonds, forming a characteristic C(4) chain along the c-axis, alongside C-H⋯π interactions.
Conclusions:
- The crystal structure of C(22)H(21)NO is characterized by significant non-planarity between its aromatic rings.
- Intermolecular N-H⋯O hydrogen bonds play a key role in organizing the molecular packing in the solid state.
- The identified structural features provide a foundation for understanding the compound's physical and chemical behavior.
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