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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
(E)-N'-(4-Fluoro-benzyl-idene)-2-(3-methyl-phen-yl)acetohydrazide
A S Praveen1, Jerry P Jasinski, Amanda C Keeley
1Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study details the crystal structure of a fluorinated organic compound, C16H15FN2O. Molecular analysis reveals specific dihedral angles and hydrogen bonding patterns forming dimers and columns in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Crystal engineering utilizes intermolecular interactions to design materials with desired characteristics.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the novel compound C16H15FN2O.
- To analyze the dihedral angles between aromatic rings and hydrogen bonding networks.
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.
- Identification and analysis of hydrogen bonding networks and their topological descriptors.
Main Results:
- The asymmetric unit contains four independent molecules of C16H15FN2O.
- Consistent dihedral angles between benzene rings (approx. 74°) were observed across all independent molecules.
- N-H-O hydrogen bonds between hydrazide and acetyl groups form R2(2)(18) ring motifs, leading to dimer formation.
- These dimers are further organized into columns along the [010] crystallographic direction.
Conclusions:
- The crystal structure of C16H15FN2O is characterized by specific dihedral angles and a robust hydrogen bonding network.
- The observed hydrogen bonding leads to the formation of dimers and columnar assemblies, providing insights into crystal packing.
- This structural information is valuable for understanding structure-property relationships in related fluorinated organic compounds.
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