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反式-2,5-双-(4-甲氧基-苄基-硫烷基)-1,4-二甲基-3,6-二氧代哌嗪-2,5-二羧酸二乙酯

Diethyl trans-2,5-bis-(4-methoxy-benzyl-sulfan-yl)-1,4-dimethyl-3,6-dioxopiperazine-2,5-carboxyl-ate.

作者信息

Polaske Nathan W, Nichol Gary S, Olenyuk Bogdan

机构信息

Department of Chemistry and Biochemistry, The University of Arizona, 1306 E. University Boulevard, Tucson, AZ 85721, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 17;65(Pt 7):o1583-4. doi: 10.1107/S1600536809022211.

Abstract

The title compound, C(28)H(34)N(2)O(8)S(2), was synthesized as part of a project to develop synthetic routes to analogues of sporidesmins, a class of secondary metabolite produced by the filamentous fungi Chaetomium and Pithomyces sp. The complete molecule is generated by crystallographic inversion symmetry: the methoxy group is essentially coplanar with the benzene ring to which it is bonded, a mean plane fitted through the non-H atoms of the aromatic ring and the meth-oxy group having an r.m.s. deviation of 0.0140 Å. Similarly, the ester group is also essentially planar (r.m.s. deviation of a plane fitted through all non-H atoms is 0.0101 Å). There is only one independent C-H⋯O inter-action, which links together adjacent mol-ecules into a two-dimensional sheet in the bc plane.

摘要

标题化合物C(28)H(34)N(2)O(8)S(2)是作为开发丝状真菌毛壳菌属和梨孢霉属产生的一类次级代谢产物sporidesmins类似物合成路线项目的一部分而合成的。整个分子由晶体学倒转对称性产生:甲氧基与其相连的苯环基本共面,通过芳香环和甲氧基的非H原子拟合的平均平面的均方根偏差为0.0140 Å。同样,酯基也基本呈平面状(通过所有非H原子拟合的平面的均方根偏差为0.0101 Å)。仅存在一种独立的C—H⋯O相互作用,它将相邻分子连接成bc平面内的二维片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de04/2969498/c13990c35d6c/e-65-o1583-fig1.jpg

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