Structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluene-sulfon-yl)-1H-pyrrol-2-yl]-1,3-di-nitro-butan-2-yl}-1-(4-toluene-sulfon-yl)-1H-pyrrole, another ostensible by-product in the synthesis of geminal-dimethyl hydro-dipyrrins.

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作者:Sample Harry C, Twamley Brendan, Senge Mathias O
The crystal structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluene-sulfon-yl)-1H-pyrrol-2-yl]-1,3-di-nitro-butan-2-yl}-1-(4-toluene-sulfon-yl)-1H-pyrrole (1, C(26)H(24)Br(2)N(4)O(8)S(2)) is presented. The title compound was isolated in suitable yield as a by-product in our synthesis of geminal-dimethyl hydro-dipyrrins. We observe an unforeseen enanti-omeric resolution both in the bulk sample and the crystal of 1, with distinct C-H⋯O (C(meth-yl)-H⋯O(nitro), Csp (3)-H⋯O(sulfon-yl)) inter-actions observed in the enanti-omers present, along with other inter-actions, namely C(5-pyrrol-yl)-H⋯O(sulfon-yl), forming a polymer along the crystallographic c-axis direction. Whilst pyrrolic fragments are well documented in the literature, little data is found surrounding the 1,3-di-nitro-butane scaffold.

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