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Preparation of Contiguous Bisaziridines for Regioselective Ring-Opening Reactions

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Bis(2,6-dichloro-benz-yl)selane.

Mei-Yun Zhou¹, Yi-Qun Li, Wen-Jie Zheng

¹Department of Chemistry, Jinan University, Guangzhou 510632, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|March 14, 2012

Summary

This study details the molecular structure of a novel organoselenium compound, C(14)H(10)Cl(4)Se. Crystal analysis reveals specific bond angles and intermolecular interactions influencing its solid-state packing.

Area of Science:

Organoselenium Chemistry
Crystal Engineering
Supramolecular Chemistry

Background:

Organoselenium compounds are of interest for their diverse chemical properties and potential applications.
Understanding the solid-state structure is crucial for predicting material properties and designing new compounds.
Intermolecular interactions, such as pi-pi stacking and halogen bonding, play a significant role in crystal packing.

Purpose of the Study:

To characterize the crystal structure of the title molecule, C(14)H(10)Cl(4)Se.
To investigate the intermolecular interactions present in the crystal lattice.
To understand how these interactions contribute to the overall packing stability.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.

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Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular geometry.

Intermolecular interactions, including pi-pi stacking and Cl...Cl contacts, were identified and quantified.

Main Results:

The molecule C(14)H(10)Cl(4)Se features a selenide bridge connecting two dichloro-benzyl units.
A significant dihedral angle of 107.9° between the benzene rings was observed.
Weak face-to-face pi-pi aromatic interactions (3.885 Å centroid-centroid distance) and short Cl...Cl contacts (3.41 Å) were identified, contributing to crystal stability.

Conclusions:

The crystal structure of C(14)H(10)Cl(4)Se is stabilized by a combination of pi-pi stacking and Cl...Cl contacts.
The observed molecular geometry and intermolecular interactions provide a foundation for further studies on the properties and applications of this organoselenium compound.