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1,3-双(乙酰氧基甲基)-5-{[(4,6-二甲基吡啶-2-基)氨基]甲基}-2,4,6-三乙基苯的合成与晶体结构

Synthesis and crystal structure of 1,3-bis-(acet-oxymeth-yl)-5-{[(4,6-di-methyl-pyridin-2-yl)amino]-methyl}-2,4,6-tri-ethyl-benzene.

作者信息

Stapf Manuel, Miyyapuram Venugopal Rao, Seichter Wilhelm, Mazik Monika

机构信息

Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Str. 29, 09596 Freiberg/Sachsen, Germany.

Clinical Research Products Management Center (CRPMC) Bioservices Thermo Fisher Scientific, 1055 First Street Rockville/Maryland 20850 USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Aug 13;80(Pt 9):947-950. doi: 10.1107/S2056989024007515. eCollection 2024 Sep 1.

Abstract

In the crystal structure of the title compound, CHNO, the tripodal mol-ecule exists in a conformation in which the substituents attached to the central arene ring are arranged in an alternating order above and below the ring plane. The heterocyclic unit is inclined at an angle of 79.6 (1)° with respect to the plane of the benzene ring. In the crystal, the mol-ecules are connected N-H⋯O bonds, forming infinite supra-molecular strands. Inter-strand association involves weak C-H⋯O and C-H⋯π inter-actions, with the pyridine ring acting as an acceptor in the latter case.

摘要

在标题化合物CHNO的晶体结构中,三脚架状分子以一种构象存在,其中连接到中心芳环上的取代基在环平面上方和下方交替排列。杂环单元相对于苯环平面倾斜79.6 (1)°。在晶体中,分子通过N-H⋯O键相连,形成无限的超分子链。链间缔合涉及弱的C-H⋯O和C-H⋯π相互作用,在后一种情况下吡啶环作为受体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/485d/11389680/d9969570722a/e-80-00947-fig1.jpg

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