A 1:1 Co-Crystal of (Z,Z)- and (E,Z)-Dimethyl 3,3′-Thiodiacrylate

Methyl propiolate is known to react with a variety of sulfur compounds to give variable mixtures of the (Z,Z), (E,Z) and (E,E) isomers of dimethyl 3,3′-thiodiacrylate. From the reaction of methyl propiolate and thiourea in methanol, we have obtained the (Z,Z) and (E,Z) isomers in an approximate 1:1 ratio as determined by 1H NMR spectroscopy. We report here the surprising discovery that a crystal of this material consists of a 1:1 co-crystal with alternating layers of the two isomers as determined by X-ray diffraction.

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Publication Details

Journal
Molbank
Published
2026-11-04
DOI
https://doi.org/10.3390/m2252
Primary Topic
Crystallography and molecular interactions
Type
article
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article

A 1:1 Co-Crystal of (Z,Z)- and (E,Z)-Dimethyl 3,3′-Thiodiacrylate

David B. Cordes, Aidan P. McKay, R. A. Aitken, Lija Maksymiuk
Molbank
Crystallography and molecular interactions
article

A 1:1 Co-Crystal of (Z,Z)- and (E,Z)-Dimethyl 3,3′-Thiodiacrylate

David B. Cordes, Aidan P. McKay, R. A. Aitken, Lija Maksymiuk
article en

Abstract

Methyl propiolate is known to react with a variety of sulfur compounds to give variable mixtures of the (Z,Z), (E,Z) and (E,E) isomers of dimethyl 3,3′-thiodiacrylate. From the reaction of methyl propiolate and thiourea in methanol, we have obtained the (Z,Z) and (E,Z) isomers in an approximate 1:1 ratio as determined by 1H NMR spectroscopy. We report here the surprising discovery that a crystal of this material consists of a 1:1 co-crystal with alternating layers of the two isomers as determined by X-ray diffraction.

MolbankVol. 2026(6)
University of St Andrews (GB)
Openalex Percentile: Top 21%
Crystallography and molecular interactions
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