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Crystal structure of (R,S)-2-hy-droxy-4-(methyl-sulfan-yl)butanoic acid.

ABSTRACT: The title compound, a major animal feed supplement, abbreviated as HMTBA and alternatively called dl-me-thio-nine hy-droxy analogue, C5H10O3S, (I), was isolated in pure anhydrous monomeric form. The melting point is 302.5?K and the compound crystallizes in the monoclinic space group P21/c, with two conformationally non-equivalent mol-ecules [(I A ) and (I B )] in the asymmetric unit. The crystal structure is formed by alternating polar and non-polar layers running along the bc plane and features an extensive hydrogen-bonding network within the polar layers. The Hirshfeld surface analysis revealed a significant contribution of non-polar H?H and H?S inter-actions to the packing forces for both mol-ecules.

SUBMITTER: Mawhinney TP 

PROVIDER: S-EPMC7133032 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of (<i>R</i>,<i>S</i>)-2-hy-droxy-4-(methyl-sulfan-yl)butanoic acid.

Mawhinney Thomas P TP   Li Yiyi Y   Chance Deborah L DL   Kelley Steven P SP   Mossine Valeri V VV  

Acta crystallographica. Section E, Crystallographic communications 20200317 Pt 4

The title compound, a major animal feed supplement, abbreviated as HMTBA and alternatively called dl-me-thio-nine hy-droxy analogue, C<sub>5</sub>H<sub>10</sub>O<sub>3</sub>S, (<b>I</b>), was isolated in pure anhydrous monomeric form. The melting point is 302.5 K and the compound crystallizes in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i>, with two conformationally non-equivalent mol-ecules [(<b>I</b> <i><b>A</b></i> ) and (<b>I</b> <i><b>B</b></i> )] in the asymmetric unit. The cr  ...[more]

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