Polaske Nathan W, Nichol Gary S, Olenyuk Bogdan
Department of Chemistry and Biochemistry, The University of Arizona, 1306 E. University Boulevard, Tucson, AZ 85721, USA.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 17;65(Pt 7):o1583-4. doi: 10.1107/S1600536809022211.
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.
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。