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Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
3-Benzyl-oxypyridin-2-amine
De-Jun Lin1, Yu Sun, Zhong-Shu Li
1Ordered Matter Science Research Center, College of Chemistry and Chemical, Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a pyridine-phenyl compound, revealing a 35.94° dihedral angle between its rings. Molecules form dimers via hydrogen bonds, with an additional intramolecular interaction observed.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Pyridine and phenyl ring systems are common motifs in pharmaceuticals and materials science, making their structural analysis important.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(12)N(2)O.
- To analyze the intermolecular and intramolecular interactions governing the compound's solid-state architecture.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding patterns and dihedral angles was performed.
Main Results:
- The dihedral angle between the pyridine and phenyl ring planes was determined to be 35.94(12)°.
- Centrosymmetrically related molecules form dimers through a pair of N-H⋯N hydrogen bonds, creating an R(2)(2)(8) ring motif.
- An intramolecular N-H⋯O interaction was identified within the crystal structure.
Conclusions:
- The crystal packing is significantly influenced by hydrogen bonding, leading to the formation of dimeric units.
- The observed dihedral angle provides insight into the conformational preferences of the molecule in the solid state.
- This structural information contributes to the broader understanding of organic crystal engineering and molecular assembly.
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