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Updated: Jun 1, 2026
11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
N-(4-Hydr-oxy-3-methoxy-benz-yl)benzamide
Summary
This study details the molecular structure of C(15)H(15)NO(3), revealing twisted benzene rings and evidence of electron delocalization in the amide fragment. Weak π-π stacking and hydrogen bonding were observed in the crystal structure.
Area of Science:
- Crystallography
- Molecular Chemistry
- Organic Chemistry
Background:
- Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Intermolecular forces, such as π-π stacking and hydrogen bonding, significantly influence crystal packing and material characteristics.
Purpose of the Study:
- To elucidate the detailed molecular structure of the compound C(15)H(15)NO(3) using crystallographic methods.
- To investigate the nature of intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and intermolecular distances was performed.
Main Results:
- The molecular structure exhibits two benzene rings with a significant dihedral angle of 75.11°.
- Evidence of electron delocalization was observed in the amide fragment, indicated by C=O and C-N bond lengths.
- Weak π-π stacking between hydroxy-methoxy-benzene rings (face-to-face distance of 3.531 Å) and N-H⋯O/O-H⋯O hydrogen bonding were identified.
Conclusions:
- The crystal structure of C(15)H(15)NO(3) is characterized by specific torsional arrangements and intermolecular interactions.
- The findings provide insights into the solid-state behavior and potential supramolecular assembly of this compound.
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