Crystallographic rationalization of the reactivity and spectroscopic properties of (2R)‐S‐(2,5‐dihydroxyphenyl)cysteine |
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Authors: | Gabriele Kociok‐Khn Simon E Lewis |
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Abstract: | At 150 K, the title compound, C9H11NO4S, crystallizes in the orthorhombic form as a zwitterion and has a low gauche conformation χ = −46.23 (16)°] for an acyclic cysteine derivative. A difference in bond length is observed for the alkyl C—S bond 1.8299 (15) Å] and the aryl C—S bond 1.7760 (15) Å]. The –NH3+ group is involved in four hydrogen bonds, two of which are intermolecular and two intramolecular. The compound forms an infinite three‐dimensional network constructed from four intermolecular hydrogen bonds. Characterization data (13C NMR, IR and optical rotation) are reported to supplement the incomplete data disclosed previously in the literature. |
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