Sample Harry C, Twamley Brendan, Senge Mathias O
School of Chemistry, Chair of Organic Chemistry, Trinity Biomedical Sciences Institute, Trinity College Dublin, 152-160 Pearse St., D02 R590, Dublin, Ireland.
School of Chemistry, Trinity College Dublin, College Green, Dublin 2, Ireland.
Acta Crystallogr E Crystallogr Commun. 2023 Jun 2;79(Pt 7):592-595. doi: 10.1107/S2056989023004644. eCollection 2023 Jun 1.
The crystal structure of (,)-4-bromo-2-{4-[4-bromo-1-(4-toluene-sulfon-yl)-1-pyrrol-2-yl]-1,3-di-nitro-butan-2-yl}-1-(4-toluene-sulfon-yl)-1-pyrrole (, CHBrNOS) is presented. The title compound was isolated in suitable yield as a by-product in our synthesis of -dimethyl hydro-dipyrrins. We observe an unforeseen enanti-omeric resolution both in the bulk sample and the crystal of , with distinct C-H⋯O (C-H⋯O, C -H⋯O) inter-actions observed in the enanti-omers present, along with other inter-actions, namely C-H⋯O, forming a polymer along the crystallographic -axis direction. Whilst pyrrolic fragments are well documented in the literature, little data is found surrounding the 1,3-di-nitro-butane scaffold.
报道了(,)-4-溴-2-{4-[4-溴-1-(4-甲苯磺酰基)-1-吡咯-2-基]-1,3-二硝基丁-2-基}-1-(4-甲苯磺酰基)-1-吡咯(, CHBrNOS)的晶体结构。在我们合成-二甲基氢二吡咯的过程中，该标题化合物作为副产物以适当的产率被分离出来。我们在块状样品和的晶体中都观察到了意外的对映体拆分，在存在的对映体中观察到了不同的C-H⋯O（C-H⋯O、C -H⋯O）相互作用，以及其他相互作用，即C-H⋯O，它们沿晶体学轴方向形成聚合物。虽然吡咯片段在文献中有充分的记载，但围绕1,3-二硝基丁烷骨架的数据却很少。
