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22,24,25-三甲基-8,11,14-三氧杂-25-氮杂四环-[19.3.1.0.0]二十五碳-2,4,6,15(20),16,18-六烯-23-酮的晶体结构

Crystal structure of 22,24,25-trimethyl-8,11,14-trioxa-25-aza-tetra-cyclo-[19.3.1.0.0]penta-cosa-2,4,6,15(20),16,18-hexaen-23-one.

作者信息

Nguyen Van Tuyen, Truong Hong Hieu, Le Tuan Anh, Soldatenkov Anatoly T, Thi Tuyet Anh Dang, Tran Thi Thanh Van, Esina Natalia Ya, Khrustalev Victor N

机构信息

Institute of Chemistry, Vietnam Academy of Science and Technology, 18 Hoang Quoc Viet, Hanoi, Vietnam; Graduate University of Science and Technology, 18 Hoang Quoc Viet, Hanoi, Vietnam.

Department of Biotechnology, Vietnam-Russia Tropical Centre, 58 Nguyen Van Huyen, Hanoi, Vietnam.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Jan 6;73(Pt 2):118-121. doi: 10.1107/S2056989016020508. eCollection 2017 Feb 1.

DOI:10.1107/S2056989016020508
PMID:28217324
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5290547/
Abstract

The title compound, CHNO, is the product of a Petrenko-Kritchenko condensation of 1,5-bis-(2-formyl-phen-oxy)-3-oxa-pentane, pentan-3-one and methyl-ammonium acetate in ethanol. The mol-ecule has mirror symmetry. The aza-14-crown-3 ether ring adopts a conformation stabilized by a weak intra-molecular C-H⋯O hydrogen bond. The conformation of the C-O-C-C-O-C-C-O-C polyether chain is t-g-t-t-g-t (t = , 180°; g = , ±60°). The dihedral angle between the benzene rings fused to the aza-14-crown-4-ether moiety is 72.68 (4)°. The piperidinone ring adopts a conformation. The nitro-gen atom has a trigonal-pyramidal geometry, the sum of the bond angles being 335.9°. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions, forming zigzag chains propagating along the [100] direction.

摘要

标题化合物CHNO是1,5-双-(2-甲酰基苯氧基)-3-氧杂戊烷、戊-3-酮和乙酸甲铵在乙醇中通过彼得连科-克里琴科缩合反应得到的产物。该分子具有镜像对称性。氮杂-14-冠-3醚环采取一种通过弱分子内C-H⋯O氢键稳定的构象。C-O-C-C-O-C-C-O-C聚醚链的构象为t-g-t-t-g-t(t = ,180°;g = ,±60°)。与氮杂-14-冠-4-醚部分稠合的苯环之间的二面角为72.68 (4)°。哌啶酮环采取一种构象。氮原子具有三角锥几何构型,键角之和为335.9°。在晶体中,分子通过弱C-H⋯O相互作用相连,形成沿[100]方向延伸的锯齿链。

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