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1H-Pyrrole-2-carbothioamide.

M C Smith¹, S C Davies, D L Hughes

¹Department of Biological Chemistry, John Innes Centre, Norwich Research Park, Colney, Norwich NR4 7UH, England.

Acta Crystallographica. Section C, Crystal Structure Communications

|August 11, 2001

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The reaction of ethoxycarbonylpyrrole-2-thiocarboxamide with sodium hydroxide produced a known compound. Its crystal structure reveals an intricate three-dimensional hydrogen-bonded lattice.

Area of Science:

Organic Chemistry
Crystallography

Background:

Pyrrole derivatives are important heterocyclic compounds with diverse applications.
Thiocarboxamides are versatile synthetic intermediates in organic chemistry.

Purpose of the Study:

To synthesize and characterize the title compound, C(5)H(6)N(2)S.
To elucidate the crystal structure and intermolecular interactions of the synthesized compound.

Main Methods:

Chemical synthesis involving the reaction of ethoxycarbonylpyrrole-2-thiocarboxamide with sodium hydroxide.
Single-crystal X-ray diffraction analysis to determine the three-dimensional structure.

Main Results:

The reaction successfully yielded the known compound C(5)H(6)N(2)S.

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X-ray crystallography revealed a unique three-dimensional hydrogen-bonded lattice structure.

Conclusions:

The synthesis and structural characterization confirm the formation of the target compound.
The observed hydrogen-bonded network provides insights into the solid-state behavior of pyrrole thiocarboxamide derivatives.