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10-苄基-9-(3,4-二甲氧基苯基)-3,3,6,6-四甲基-3,4,6,7,9,10-六氢吖啶-1,8(2H,5H)-二酮的晶体结构

Crystal structure of 10-benzyl-9-(3,4-di-meth-oxy-phen-yl)-3,3,6,6-tetra-methyl-3,4,6,7,9,10-hexa-hydro-acridine-1,8(2H,5H)-dione.

作者信息

Sureshbabu N, Sughanya V

机构信息

Department of Chemistry, Annamalai University, Annamalai Nagar 608 002, Tamil Nadu, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Aug 26;71(Pt 9):o688-9. doi: 10.1107/S2056989015014966. eCollection 2015 Sep 1.

Abstract

In the acridinedione moiety of the title compound, C32H37NO4, the central di-hydro-pyridine ring adopts a flattened-boat conformation, with the N atom and the methine C atom displaced from the mean plane of the other four atoms by 0.0513 (14) and 0.1828 (18) Å, respectively. The two cyclo-hexenone rings adopt envelope conformations, with the tetra-subsituted C atoms as the flap atoms. The 3,4-di-meth-oxy--benzene and benzyl rings are almost normal to the di-hydro-pyridine mean plane, with dihedral angles of 89.47 (9) and 82.90 (11)°, respectively. In the crystal, mol-ecules are linked via a pair of C-H⋯O hydrogen bonds, forming inversion dimers, which are, in turn, linked by C-H⋯O hydrogen bonds, forming slabs lying parallel to (001).

摘要

在标题化合物C32H37NO4的吖啶二酮部分中,中心二氢吡啶环呈扁平船式构象,N原子和次甲基C原子分别偏离其他四个原子的平均平面0.0513(14)和0.1828(18)Å。两个环己烯酮环呈信封式构象,以四取代的C原子作为瓣原子。3,4-二甲氧基苯环和苄基环几乎垂直于二氢吡啶平均平面,二面角分别为89.47(9)和82.90(11)°。在晶体中,分子通过一对C-H⋯O氢键相连,形成反演二聚体,这些二聚体又通过C-H⋯O氢键相连,形成平行于(001)的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4243/4555413/a877c1d8b4c0/e-71-0o688-fig1.jpg

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