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顺式-1-乙基-4,4,6,8-四甲基-2-对甲苯磺酰基-2,3,3a,4,6,7,8,9-八氢-1H-吡咯并[3',4':3,4]吡喃并[6,5-d]嘧啶-7,9-二酮

cis-1-Ethyl-4,4,6,8-tetra-methyl-2-tosyl-2,3,3a,4,6,7,8,9-octa-hydro-1H-pyrrolo[3',4':3,4]pyrano[6,5-d]pyrimidine-7,9-dione.

作者信息

Chinnakali K, Sudha D, Jayagobi M, Raghunathan R, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1862-3. doi: 10.1107/S1600536809026361.

Abstract

In the title compound, C(22)H(29)N(3)O(5)S, the pyrrolidine ring is cis-fused to the dihydro-pyran ring. The pyrrolidine and dihydro-pyran rings adopt twist and half-chair conformations, respectively. The mol-ecule is in a folded conformation; the sulfonyl-bound benzene ring lies over the pyrimidine-dione ring, with a weak π-π inter-action [centroid-centroid distance = 3.6147 (4) Å]. A weak intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked into a three-dimensional network by C-H⋯O hydrogen bonds.

摘要

在标题化合物C₂₂H₂₉N₃O₅S中,吡咯烷环与二氢吡喃环顺式稠合。吡咯烷环和二氢吡喃环分别采取扭曲构象和半椅式构象。分子呈折叠构象;磺酰基连接的苯环位于嘧啶二酮环上方,存在弱的π-π相互作用[质心-质心距离 = 3.6147 (4) Å]。一个弱的分子内C-H⋯O氢键形成了一个S(6)环模式。在晶体中,分子通过C-H⋯O氢键连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6d28/2977440/3f6e3a4f1c4f/e-65-o1862-fig1.jpg

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