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Updated: Apr 22, 2026

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework

Published on: April 9, 2018

Crystal structure of 1-(4-formyl-benzyl-idene)thio-semicarbazone

Rosa Carballo¹, Arantxa Pino-Cuevas¹, Ezequiel M Vázquez-López¹

¹Departamento de Química Inorgánica, Facultade de Química, Edificio de Ciencias Experimentais, Universidade de Vigo, E-36310 Vigo, Galicia, Spain.

Acta Crystallographica. Section E, Structure Reports Online

|October 14, 2014

Abstract:

The asymmetric unit of the title compound, C9H9N3OS, contains two approximately planar mol-ecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045 Å), with different conformations. In one of them, the C=O group is syn to the S atom and in the other it is anti. Each mol-ecule features an intra-molecular N-H⋯N hydrogen bond, which generates an S(5) ring. In the crystal, mol-ecules are linked by N-H⋯O and N-H⋯S hydrogen bonds, generating discrete networks; the syn mol-ecules form [010] chains and the anti mol-ecules form (100) sheets.

Keywords:

crystal structure hydrogen bonds thiosemicarbazone

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Sulfides are the sulfur analog of ethers, just as thiols are the sulfur analog of alcohol. Like ethers, sulfides also consist of two hydrocarbon groups bonded to the central sulfur atom. Depending upon the type of groups present, sulfides can be symmetrical or asymmetrical. Symmetrical sulfides can be prepared via an SN2 reaction between 2 equivalents of an alkyl halide and one equivalent of sodium sulfide.

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