N-(3-Hy-droxy-phen-yl)nicotinamide

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.
• The specific molecule C(12)H(10)N(2)O(2) presents an interesting combination of aromatic and amide functionalities.

Purpose of the Study:

• To elucidate the precise crystal structure of the molecule C(12)H(10)N(2)O(2).
• To quantify the spatial relationships between the aromatic rings and the amide group.
• To investigate the intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Geometric parameters, including dihedral angles and bond orientations, were precisely measured.
• Analysis of hydrogen bonding networks was performed to understand crystal assembly.

Main Results:

• The dihedral angle between the benzene and pyridine rings was determined to be 5.01(8)°.
• The amide group exhibited a significant twist of 33.54(7)° relative to the pyridine ring plane.
• Centrosymmetric dimers formed via O-H⋯N hydrogen bonds, with further N-H⋯O linkages creating chains along the b axis.

Conclusions:

• The study provides a detailed structural characterization of C(12)H(10)N(2)O(2) in the solid state.
• The observed molecular conformation and hydrogen bonding patterns are key determinants of the crystal packing.
• These findings contribute to the understanding of structure-property relationships in related organic compounds.