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Acta Crystallographica. Section E, Structure Reports Online

|January 5, 2011

Summary

The crystal structure of a C(15)H(12)O(3)·H(2)O compound reveals a dihedral angle between its rings. Intermolecular hydrogen bonds form a three-dimensional framework in the crystal.

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Area of Science:

Crystallography
Materials Science
Chemical Physics

Background:

Understanding the three-dimensional arrangement of molecules in crystalline solids is crucial for predicting material properties.
The study of hydrogen bonding interactions provides insights into molecular assembly and stability.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(15)H(12)O(3)·H(2)O.
To analyze the molecular orientation and intermolecular interactions within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
Analysis of bond lengths, bond angles, and intermolecular contacts was performed.

Main Results:

The crystal structure was solved for C(15)H(12)O(3)·H(2)O.
A dihedral angle of 69.12(3)° was measured between the two rings of the molecule.
Intermolecular O-H⋯O hydrogen bonds were identified, connecting molecules into a 3D framework.

Conclusions:

The determined crystal structure provides a detailed molecular model for C(15)H(12)O(3)·H(2)O.
The observed hydrogen bonding network is a key feature governing the solid-state packing and stability.