Abstract
The title compound, C17H15Br2NO6S2·C2H5OH, is the esterification reaction product of 2-(8,10-dibromo-2,6-dioxo-3,5,5a,11b-tetrahydro-2H,6H-chromeno[4′,3′:4,5]thiopyrano[2,3-d]thiazol-5a-yl)acetic acid. Cleavage of the lactone ring and formation of ethoxycarbonyl and hydroxy groups from its structural elements were observed. On the other hand, the carboxymethyl group was not esterified. The H atom and carboxymethyl group, both at stereogenic centres, show a cis conformation. The six-membered dihydrothiopyran ring adopts a half-chair conformation. All NH and OH groups participate in the three-dimensional hydrogen-bond network, which is additionally strengthened by C—H⋯O and C—H⋯S interactions. Intramolecular O—H⋯Br and C—H⋯O interactions also occur.
Highlights
The title compound, C17H15Br2NO6S2C2H5OH, is the esterification reaction product of 2-(8,10-dibromo-2,6-dioxo3,5,5a,11b-tetrahydro-2H,6H-chromeno[40,30 :4,5]thiopyrano[2,3-d]thiazol-5a-yl)acetic acid
All NH and OH groups participate in the three-dimensional hydrogen-bond network, which is strengthened by C—H O and C—
H atoms treated by a mixture of independent and constrained refinement max = 1.08 e Å3
Summary
Grunwaldzka 6, 60-780 Poznań, Poland, bDepartment of Pharmaceutical, Organic and Bioorganic Chemistry, Danylo Halytsky Lviv National Medical University, Pekarska 69, Lviv, 79010, Ukraine, and cFaculty of Pharmacy, Ludwik Rydygier. Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University in Toruń, ul. R factor = 0.027; wR factor = 0.073; data-to-parameter ratio = 18.6. Cleavage of the lactone ring and formation of ethoxycarbonyl and hydroxy groups from its structural elements were observed. The H atom and carboxymethyl group, both at stereogenic centres, show a cis conformation. The six-membered dihydrothiopyran ring adopts a half-chair conformation. All NH and OH groups participate in the three-dimensional hydrogen-bond network, which is strengthened by C—H O and C—. Intramolecular O—H Br and C—H O interactions occur
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