作者
Joanna Bojarska, Waldemar Maniukiewicz, Andrzej Fruziński, Lesław Sieroń, Milan Remko
发表日期
2015/3/1
期刊
Acta Crystallographica Section C: Structural Chemistry
卷号
71
期号
3
页码范围
199-203
出版商
International Union of Crystallography
简介
The crystal structures of captopril {systematic name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid}, C9H15NO3S, (1), and its dimer disulfide metabolite, 1,1′-{disulfanediylbis[(2S)-2-methyl-1-oxopropane-3,1-diyl]}bis-l-proline, C18H28N2O6S2, (2), were determined by single-crystal X-ray diffraction analysis. Compound (1) crystallizes in the orthorhombic space group P212121, while compound (2) crystallizes in the monoclinic space group P21, both with one molecule per asymmetric unit. The molecular geometries of (1) and (2) are quite similar, but certain differences appear in the conformations of the five-membered proline rings and the side chains containing the sulfhydryl group. The proline ring adopts an envelope conformation in (1), while in (2) it exists in envelope and slightly deformed half-chair conformations. The conformation adopted by the side chain is extended in (1) and …
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J Bojarska, W Maniukiewicz, A Fruziński, L Sieroń… - Acta Crystallographica Section C: Structural Chemistry, 2015