The title compound, C13H12BrNO4, was obtained from an optically active aniline derivative. The structure was characterized by 1H NMR, 13C NMR, MS and X-ray diffraction techniques. 86% of the atoms of the two independent mol­ecules in the asymmetric unit show non-crystallographic inversion symmetry

Akkurt

Alexander V. Kurkin

Anna A. Bernovskaya

Farrugia

Flack

Marina A. Yurovskaya

Miehe

North

Robeyns

Sandmeyer

Sheldrick

Silva

Spek

Victor B. Rybakov

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Acta Crystallographica Section E

English

CAD-4 EXPRESS. Enraf–Nonius,

Calculated C—H bond lengths are in the range of 0.93–0.97 Å. For methyl H–atoms Uiso values were set equal to 1.5Ueq of the carrier atoms, for other H–atoms Uiso values were set to 1.2Ueq of the carrier atoms.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq

organic compounds o1448 Kurkin et al. doi:10.1107/S1600536808020588 Acta Cryst.

Sinthesis of ethyl (2R)–2–(5–bromisatin–1–yl)propanoate, I. (2R)-Ethyl 2-(5-bromo-2,3-dioxoindolin-1-yl)propanoate Crystal data

The asymmetric unit of the title compound has two independent molecules (hereafter called A and B), which depicted in Fig. 1. The ADDSYM test by PLATON (Spek,

The short interatomic contacts O12a···C3b = 3.01Å and O12b···C3a = 2.98Å were found in the crystal structure. Experimental We have synthesized ethyl (2R)–2–(5–bromisatin–1–yl)propanoate from optically active aniline by Sandmeyer method (Sandmeyer,

(2R)-Ethyl 2-(5-bromo-2,3-dioxoindolin-1-yl)propanoate