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|January 5, 2011

Summary

This study reveals the crystal structure of C(8)H(9)N(3)O(2)S, detailing how three independent molecules form a layered arrangement. Hydrogen bonds link these molecules into a stable two-dimensional network.

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Area of Science:

Crystal chemistry
Supramolecular chemistry

Background:

Understanding the packing of organic molecules is crucial in materials science.
Hydrogen bonding plays a key role in dictating crystal structures and properties.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(8)H(9)N(3)O(2)S.
To analyze the intermolecular interactions, particularly hydrogen bonding, within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of hydrogen bond donors and acceptors was performed to identify specific interactions.

Main Results:

The asymmetric unit contains three independent molecules of C(8)H(9)N(3)O(2)S, stacked approximately parallel.
Centrosymmetric molecular pairs are formed via hydroxyl-hydroxyl and hydroxyl-sulfur hydrogen bonds.
These pairs are further organized into a 2D network through N-H⋯O(hydroxyl) hydrogen bonds.

Conclusions:

The crystal structure is stabilized by a network of specific intermolecular hydrogen bonds.
The identified hydrogen bonding patterns dictate the overall supramolecular architecture of the compound.