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2-(2-Methoxy-phen-yl)butane-dinitrile.

Xiang-Zi Li, Zhi-Jun Feng, Yan Yu

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

The crystal structure of a novel butane-dinitrile compound was determined. Its molecular conformation and intermolecular hydrogen bonding interactions were analyzed.

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Area of Science:

Crystallography
Organic Chemistry
Supramolecular Chemistry

Background:

Understanding molecular conformation and crystal packing is crucial in materials science and drug design.
Intermolecular forces, such as hydrogen bonding, significantly influence the physical properties of crystalline solids.

Purpose of the Study:

To elucidate the three-dimensional structure of the title compound, C(11)H(10)N(2)O.
To investigate the conformational preferences of the butane-dinitrile moiety within the crystal lattice.
To identify and characterize the intermolecular interactions responsible for crystal stabilization.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Conformational analysis was performed on the butane-dinitrile unit.
Intermolecular interactions, specifically C-H⋯N hydrogen bonds, were analyzed.

Main Results:

The title compound, C(11)H(10)N(2)O, crystallizes in a specific packing arrangement.
The butane-dinitrile unit adopts a synclinal conformation in the solid state.
Weak intermolecular C-H⋯N hydrogen bonds were identified as the primary stabilizing forces in the crystal structure.

Conclusions:

The study provides detailed structural insights into a novel butane-dinitrile derivative.
The observed synclinal conformation and C-H⋯N hydrogen bonding highlight the importance of non-covalent interactions in dictating crystal architecture.
These findings contribute to the fundamental understanding of structure-property relationships in organic crystalline materials.