2,5-Dimercapto-1,3,4-thiadiazole (DMTDA), when dissolved in cyclohexanone, interacts strongly with the solvent and the title monothiohemiacetal (MTH) is formed. MTH has been characterized in the solid state by means of X-ray diffraction, IR spectroscopy and thermogravimetric analysis, and in cyclohexanone solution by means of NMR spectroscopy. The title compound crystallizes in the triclinic space group P-1 (No. 2), with cell dimensions a = 6.481 (1), b = 9.322(1), c = 9.553(1) angstrom, alpha = 72.31 (1), beta = 89.74(1), gamma = 80.83(1)° and Z = 2. The structure was solved by direct methods and least-squares refinement of structural parameters led to a conventional R factor of 0.041 for 1074 independent reflections. In the solid state, MTH easily undergoes decomposition with loss of cyclohexanone.

Synthesis, Crystal and Molecular Structure, and Spectroscopic Characterization of 5–(1–Hydroxycyclohexylthio)–1,3,4–thiadiazole–2–thione / Antolini, Luciano; Cornia, Andrea; FABRETTI COSTANTINO, Antonio; Schenetti, Luisa. - In: JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS II. - ISSN 0300-9580. - STAMPA. - /:(1993), pp. 417-420.

Synthesis, Crystal and Molecular Structure, and Spectroscopic Characterization of 5–(1–Hydroxycyclohexylthio)–1,3,4–thiadiazole–2–thione

ANTOLINI, Luciano;CORNIA, Andrea;FABRETTI COSTANTINO, Antonio;SCHENETTI, Luisa
1993

Abstract

2,5-Dimercapto-1,3,4-thiadiazole (DMTDA), when dissolved in cyclohexanone, interacts strongly with the solvent and the title monothiohemiacetal (MTH) is formed. MTH has been characterized in the solid state by means of X-ray diffraction, IR spectroscopy and thermogravimetric analysis, and in cyclohexanone solution by means of NMR spectroscopy. The title compound crystallizes in the triclinic space group P-1 (No. 2), with cell dimensions a = 6.481 (1), b = 9.322(1), c = 9.553(1) angstrom, alpha = 72.31 (1), beta = 89.74(1), gamma = 80.83(1)° and Z = 2. The structure was solved by direct methods and least-squares refinement of structural parameters led to a conventional R factor of 0.041 for 1074 independent reflections. In the solid state, MTH easily undergoes decomposition with loss of cyclohexanone.
1993
/
417
420
Synthesis, Crystal and Molecular Structure, and Spectroscopic Characterization of 5–(1–Hydroxycyclohexylthio)–1,3,4–thiadiazole–2–thione / Antolini, Luciano; Cornia, Andrea; FABRETTI COSTANTINO, Antonio; Schenetti, Luisa. - In: JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS II. - ISSN 0300-9580. - STAMPA. - /:(1993), pp. 417-420.
Antolini, Luciano; Cornia, Andrea; FABRETTI COSTANTINO, Antonio; Schenetti, Luisa
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/306873
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