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11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
Bis[N-benzyl-2-(quinolin-8-yl-oxy)acetamide] monohydrate
Acta Crystallographica. Section E, Structure Reports Online
|August 13, 2011
Summary
This study details the crystal structure of a novel acetamide compound, revealing specific dihedral angles and hydrogen bonding interactions that stabilize its molecular arrangement in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Acetamide derivatives are important in various chemical and pharmaceutical applications.
- Crystal packing forces significantly influence the physical and chemical characteristics of solid-state compounds.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, 2C(18)H(16)N(2)O(2)·H(2)O.
- To analyze the dihedral angles between the quinoline and benzene rings within the acetamide molecules.
- To investigate the intermolecular interactions, specifically hydrogen bonding, governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles was performed.
- Intermolecular interactions, including hydrogen bonds, were identified and characterized.
Main Results:
- The crystal structure of 2C(18)H(16)N(2)O(2)·H(2)O was successfully determined.
- Two independent acetamide molecules exhibit distinct dihedral angles between their quinoline and benzene rings: 80.09(5)° and 61.23(5)°.
- The crystal lattice is stabilized by a network of O-H⋯N and N-H⋯O hydrogen bonds involving acetamide and water molecules.
Conclusions:
- The study provides precise structural data for the title acetamide compound.
- The observed dihedral angles highlight conformational variations in the independent molecules.
- Hydrogen bonding plays a key role in the supramolecular assembly and stability of the crystal structure.
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