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2,3-Bis(4-nitrobenzylthio)maleonitrile

¹Coordination Chemistry Institute and State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, People's Republic of China.

Acta Crystallographica. Section C, Crystal Structure Communications

|December 19, 2000

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The crystal structure of (2Z)-2,3-bis[(4-nitrobenzyl)sulfanyl]but-2-enedinitrile reveals a nearly planar maleonitrile core. This study highlights intermolecular sulfur-sulfur and pi-pi interactions in the solid state.

Area of Science:

Crystallography
Organic Chemistry
Supramolecular Chemistry

Background:

The title compound, (2Z)-2,3-bis[(4-nitrobenzyl)sulfanyl]but-2-enedinitrile, possesses a unique molecular architecture.
Understanding the solid-state packing and intermolecular interactions is crucial for predicting material properties.

Purpose of the Study:

To elucidate the crystal structure of (2Z)-2,3-bis[(4-nitrobenzyl)sulfanyl]but-2-enedinitrile.
To investigate the nature and significance of intermolecular interactions, specifically sulfur-sulfur (S-S) and pi-pi stacking.

Main Methods:

Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional molecular structure.
Analysis of the crystal packing revealed the spatial arrangement of molecules and the presence of specific intermolecular contacts.

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Main Results:

The maleonitrile moiety of the compound exhibits a near-planar conformation.
The two 4-nitrobenzyl groups are positioned nearly parallel to each other and perpendicular to the maleonitrile plane.
Significant intermolecular S-S and pi-pi interactions were identified in the crystal lattice.

Conclusions:

The crystal structure provides detailed insights into the solid-state behavior of (2Z)-2,3-bis[(4-nitrobenzyl)sulfanyl]but-2-enedinitrile.
The observed intermolecular interactions likely influence the compound's physical properties and potential applications.