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23-苄基-8,11,14-三氧杂-23,28,29-三氮杂-五环-[19.7.1.0(2,7).0(15,20).0(22,27)]二十九碳-2,4,6,15(20),16,18,21,26-八烯-26-羧酸乙酯

Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza-penta-cyclo-[19.7.1.0(2,7).0(15,20).0(22,27)]nona-cosa-2,4,6,15(20),16,18,21,26-octa-ene-26-carboxyl-ate.

作者信息

Hieu Truong Hong, Anh Le Tuan, Soldatenkov Anatoly T, Vasil'ev Vasily G, Khrustalev Victor N

机构信息

Department of Chemistry, Vietnam National University, 144 Xuan Thuy, Cau Giay, Hanoi, Vietnam.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 23;69(Pt 4):o565-6. doi: 10.1107/S1600536813007241. Print 2013 Apr 1.

Abstract

The title compound, C33H35N3O5, is the product of the multicomponent condensation of 1-benzyl-4-eth-oxy-carbonyl-piperidin-3-one with 1,5-bis-(2-formyl-phen-oxy)-3-oxapentane and ammonium acetate. The mol-ecule comprises a penta-cyclic system containing the aza-14-crown-4-ether macrocycle, tetra-hydro-pyrimidine, tetra-hydro-pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37 (5)° between the benzene rings. The tetra-hydro-pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra-hydro-pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra-molecular N-H⋯O hydrogen bonds. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

摘要

标题化合物C33H35N3O5是1-苄基-4-乙氧基羰基哌啶-3-酮与1,5-双(2-甲酰基苯氧基)-3-氧杂戊烷和醋酸铵多组分缩合的产物。该分子包含一个含有氮杂-14-冠-4-醚大环、四氢嘧啶、四氢吡啶和两个苯环的五环体系。氮杂-14-冠-4-醚环呈碗状构象,苯环之间的二面角为62.37 (5)°。四氢嘧啶环以手性碳原子为翻盖呈信封构象,而四氢吡啶环呈扭曲的椅式构象。两个氨基参与分子内N-H⋯O氢键。在晶体中,弱C-H⋯O氢键将分子连接成平行于ab平面的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4b13/3629615/858d045c2d22/e-69-0o565-fig1.jpg

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