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Summary

This summary is machine-generated.

This study details the crystal structure of a dichloro-substituted semicarbazone compound. The semicarbazone group exhibits planarity, with specific dihedral angles and stabilizing hydrogen bonds observed in its crystal lattice.

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Area of Science:

Crystallography
Organic Chemistry
Chemical Physics

Background:

Semicarbazones are a class of organic compounds with diverse applications.
Understanding the precise three-dimensional structure of novel compounds is crucial for predicting their properties and reactivity.
Crystal structure analysis provides detailed insights into molecular geometry and intermolecular interactions.

Purpose of the Study:

To elucidate the crystal structure of the novel compound C(9)H(9)Cl(2)N(3)O.
To determine the planarity of the semicarbazone group and its orientation relative to the benzene ring.
To identify and characterize stabilizing intermolecular interactions, such as hydrogen bonding.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Least-squares planes were calculated for the semicarbazone moiety and the benzene ring.
Analysis of interatomic distances and angles was performed to identify hydrogen bonding.

Main Results:

The crystal structure of C(9)H(9)Cl(2)N(3)O was successfully determined.
The semicarbazone group was found to be nearly planar, with a root-mean-square deviation of 0.011(2) Å.
A dihedral angle of 38.76(9)° was measured between the semicarbazone plane and the benzene ring plane.
N-H⋯O and C-H⋯O hydrogen bonds were identified as key stabilizing interactions within the crystal lattice.

Conclusions:

The crystal structure analysis provides a detailed geometric description of the title compound.
The observed planarity and dihedral angle offer insights into the electronic and steric factors governing the molecule's conformation.
The identified hydrogen bonding network highlights the importance of intermolecular forces in stabilizing the crystal packing.