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3-Methyl-4-nitro-phenol-4-dimethyl-amino-pyridine (1/1).

Srinivasan Muralidharan¹, Perumal Nagapandiselvi, Thothadri Srinivasan

¹Department of Physics, Anna University, Chennai 600 025, India.

Acta Crystallographica. Section E, Structure Reports Online

|January 4, 2013

Summary

This summary is machine-generated.

This study details the crystal structure of a novel adduct, C(7)H(7)NO(3) (.)C(7)H(10)N(2), revealing specific dihedral angles between its aromatic rings and the nitro group. Crystal packing analysis identified key hydrogen bonding interactions.

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Area of Science:

Crystallography
Molecular structure analysis
Supramolecular chemistry

Background:

Understanding the three-dimensional arrangement of molecules is crucial in chemistry.
Aromatic ring interactions and hydrogen bonding influence crystal lattice formation and material properties.

Purpose of the Study:

To elucidate the precise molecular geometry of the C(7)H(7)NO(3) (.)C(7)H(10)N(2) adduct.
To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal structure.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
Analysis of the crystal structure included measuring dihedral angles and identifying hydrogen bond donors and acceptors.

Main Results:

The dihedral angle between the benzene and pyridine rings was determined to be 9.60(8)°.
The nitro group exhibited a dihedral angle of 21.76(13)° relative to the benzene ring.
The hydroxyl oxygen atom showed a deviation of 0.0247(15) Å from the benzene ring plane.
O-H⋯N hydrogen bonds were identified as the primary stabilizing interactions in the crystal packing.

Conclusions:

The study provides a detailed structural characterization of the C(7)H(7)NO(3) (.)C(7)H(10)N(2) adduct.
The observed dihedral angles offer insights into the conformational preferences of the molecule in the solid state.
Hydrogen bonding plays a significant role in the observed crystal packing, influencing the overall supramolecular architecture.