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N1-(4-Bromophenyl)-N2-hydroxy-2-oxo-2-phenylacetamidine
Serkan Soylu1, Murat Taş, Hümeyra Bati
1Department of Physics, Arts and Sciences Faculty, Ondokuz Mayis University, 55139 Samsun, Turkey. mssoylu@omu.edu.tr
Summary
This study investigates the crystal structure of a novel brominated organic compound. Molecules form unique hydrogen-bonded chains, differing from similar chemical structures.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Hydrogen bonding plays a crucial role in molecular self-assembly.
- Understanding crystal packing is essential for predicting material properties.
- The oxime functional group can participate in various intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C14H11BrN2O2.
- To analyze the intermolecular interactions, specifically hydrogen bonding, in the crystal lattice.
- To compare the observed crystal packing with that of closely related compounds.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bond distances and angles was performed.
- Comparison with crystallographic data of analogous compounds was conducted.
Main Results:
- The title compound crystallizes with the oxime group in an E conformation.
- Molecules are extensively linked by strong O-H...O and N-H...O hydrogen bonds.
- These hydrogen bonds result in the formation of infinite chains of edge-fused rings, a distinct packing motif compared to related structures.
Conclusions:
- The specific arrangement of hydrogen bonds in C14H11BrN2O2 dictates a unique supramolecular architecture.
- The E conformation of the oxime group facilitates the observed hydrogen bonding network.
- Crystal structure analysis provides insights into structure-property relationships for organic materials.