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2,2-Dibenzyl-hydrazin-1-ium chloride
Shahedeh Tayamon1, Thahira Begum S A Ravoof, Mohamed Ibrahim Mohamed Tahir
1Department of Chemistry, Universiti Putra Malaysia, 43400 Serdang, Malaysia.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study details the crystal structure of a salt, C14H17N2(+)·Cl(-), revealing a pyramidal nitrogen atom and orthogonal benzene rings. Hydrogen bonds form undulating ribbons, creating layered crystal packing through C-H⋯π interactions.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in crystalline solids is crucial for predicting material properties.
- Supramolecular chemistry explores the interactions that govern the assembly of molecules into larger structures.
- Hydrogen bonding and C-H···π interactions are key non-covalent forces in crystal engineering.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title salt, C14H17N2(+)·Cl(-).
- To investigate the nature of intermolecular interactions, including hydrogen bonding and C-H···π interactions, within the crystal lattice.
- To describe the resulting supramolecular architecture formed by these interactions.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond angles and dihedral angles provided information on molecular geometry.
- Intermolecular interactions were identified and characterized using crystallographic data.
Main Results:
- The central nitrogen atom in the C14H17N2(+) cation exhibits pyramidal geometry (sum of bond angles = 330.9°).
- A near-orthogonal relationship was observed between the two benzene rings, with a dihedral angle of 89.95(10)°.
- N-H⋯Cl hydrogen bonds link the molecules into undulating ribbons along the a axis, forming eight-membered synthons.
- C-H⋯π interactions further connect these ribbons into layers within the ab plane.
Conclusions:
- The crystal structure of C14H17N2(+)·Cl(-) is characterized by specific molecular geometry and significant intermolecular interactions.
- The identified hydrogen bonding and C-H⋯π interactions dictate the formation of a layered supramolecular architecture.
- This detailed structural analysis contributes to the understanding of crystal packing in organic salts and informs crystal engineering strategies.
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