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Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetate: synthesis via a microwave-mediated combinatorial chemistry approach

机译:2-{[2-(3-硝基苯基)-5-苯基-1H-咪唑-4-基]硫烷基}乙酸乙酯:通过微波介导的组合化学方法合成

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摘要

The orange title compound, C₁₉H₁₇N₃O₄S, can be synthesized either via microwave-mediated combinatorial chemistry strategies or conventional synthetic procedures. The phenyl and meta-nitrophenyl C₆ rings are essentially coplanar with the central imidazolyl ring, with interplanar angles of 0.87 (5) and 0.97 (4)°, respectively, resulting in optimum conjugation (SCH₂ moiety included); [lambda]max = 281 nm in CH₃CN. The principal intermolecular interactions are Nimid-H...Onitro and Nimid-H...O=C [N...O = 3.058 (2) and 3.432 (3) Å, and N-H...O = 128 and 153°, respectively]. The closest H...S distance is an intramolecular C-H...S contact, with H...S = 2.54 Å and C-H...S = 136°.
机译:可以通过微波介导的组合化学策略或常规合成方法合成橙色标题化合物C₁₉H₁₇N₃O₄S。苯基和间硝基苯基的C 4环与中心咪唑基环基本共面,平面角分别为0.87(5)和0.97(4)°,从而产生最佳的结合(包括SCH 2部分);在CH 3 CN中的λmax= 281nm。主要的分子间相互作用是Nimid-H ... Onitro和Nimid-H ... O = C [N ... O = 3.058(2)和3.432(3)Å,NH ... O = 128和153 °]。最接近的H ... S距离是分子内C-H ... S接触,H ... S = 2.54Å,C-H ... S = 136°。

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