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Acta Crystallographica. Section E, Structure Reports Online

|November 18, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a C(12)H(11)NO(2) compound, revealing its near-planar geometry. Molecular interactions, including hydrogen bonds, dictate its crystalline arrangement and packing in a chain-like formation.

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Area of Science:

Crystallography
Solid-state chemistry
Molecular structure analysis

Background:

Understanding molecular arrangement is crucial in materials science.
Intermolecular forces dictate crystal packing and properties.
The specific compound C(12)H(11)NO(2) has not been previously characterized in detail.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(12)H(11)NO(2).
To investigate the intermolecular interactions governing the compound's solid-state arrangement.
To describe the hydrogen bonding network and overall packing in the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of atomic coordinates and bond lengths/angles.
Identification and analysis of hydrogen bonding and other non-covalent interactions.

Main Results:

The title compound, C(12)H(11)NO(2), exhibits a near-planar molecular geometry with a low r.m.s. deviation for non-hydrogen atoms (0.033 Å).
Molecules self-assemble into C(7) chains along the b axis through N-H⋯O hydrogen bonds.
A weak C-H⋯O interaction further contributes to the crystal packing.

Conclusions:

The crystal structure of C(12)H(11)NO(2) is characterized by a near-planar conformation and specific intermolecular interactions.
Hydrogen bonding plays a significant role in directing the formation of one-dimensional chains within the crystal.
The identified weak interactions contribute to the overall stability and arrangement of the crystal lattice.