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Summary

This summary is machine-generated.

This study details the molecular structure of C(10)H(9)NO(6), revealing specific inclinations of ester and nitro groups relative to the benzene ring. Crystal analysis shows molecules stacked along the a-axis linked by C-H⋯O interactions.

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure Analysis

Background:

Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
Benzene derivatives with ester and nitro functional groups are common in various chemical applications.

Purpose of the Study:

To elucidate the precise molecular geometry and crystal packing of the title compound, C(10)H(9)NO(6).
To investigate intermolecular interactions within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular structure.
Analysis of bond lengths, bond angles, and torsion angles provided detailed geometric information.
Intermolecular interactions, such as hydrogen bonds and van der Waals forces, were identified.

Main Results:

The two ester groups and the nitro group exhibit distinct inclinations of 9.2(2)°, 123.3(6)°, and 135.2(5)°, respectively, relative to the benzene ring's mean plane.
Molecules are arranged in stacked columns along the crystallographic a axis.
No direct π-π stacking interactions were observed between the aromatic rings.
The stacked columns are interconnected through non-classical intermolecular C-H⋯O hydrogen bonds.

Conclusions:

The study provides a detailed crystallographic description of C(10)H(9)NO(6), highlighting the spatial orientation of its functional groups.
The crystal structure is stabilized by a network of C-H⋯O interactions, influencing the overall molecular arrangement.