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Summary

This summary is machine-generated.

The crystal structure of C(15)H(13)N(3)O(4) reveals a significant dihedral angle between its pyrazole and benzene rings. This molecular arrangement is further stabilized by specific intra- and inter-molecular hydrogen bonding interactions.

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Area of Science:

Crystallography
Molecular Chemistry

Background:

Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting their properties and reactivity.
Pyrazole and benzene derivatives are common scaffolds in medicinal chemistry and materials science.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(15)H(13)N(3)O(4).
To analyze the dihedral angle between the pyrazole and benzene ring systems.
To identify and characterize stabilizing interactions within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of the crystal structure included the measurement of dihedral angles and identification of hydrogen bonding.

Main Results:

The dihedral angle between the pyrazole and benzene ring planes was determined to be 67.7(1)°.
The crystal structure is stabilized by one intramolecular C-H⋯O hydrogen bond.
Two additional weak intermolecular C-H⋯O interactions were identified, contributing to crystal packing.

Conclusions:

The study provides precise structural data for C(15)H(13)N(3)O(4), highlighting the non-planar conformation between the aromatic rings.
The identified hydrogen bonding network plays a significant role in the stabilization of the crystal structure.