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(1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hy-droxy-22,24-diphenyl-8,11,14-trioxa-25-aza-tetra-cyclo-[19.3.1.0(2,7).0(15,20)]penta-cosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate.

ABSTRACT: The title compound, C40H41NO8, is a product of the reduction of the cyclic carbonyl group of the ?-piperidone subunit of the aza-14-crown-4 ether with subsequent re-esterification of its dimethyl butenoate substituent into a monoethyl monomethyl group. The aza-crown macrocycle exhibits a bowl conformation with a dihedral angle of 70.82?(5)° between the benzene rings fused to it. The piperidine ring adopts a chair conformation and the methyl ethyl ethyl-enedi-carboxyl-ate fragment has a cis conformation, with a dihedral angle of 66.51?(7)° between the two carboxyl-ate groups. The ethyl group is disordered over two sites with occupancies of 0.70?(1):0.30?(1). In the crystal, mol-ecules form inversion dimers, via pairs of O-H?O hydrogen bonds, that stack along the a axis.

SUBMITTER: Hieu TH 

PROVIDER: S-EPMC3772461 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hy-droxy-22,24-diphenyl-8,11,14-trioxa-25-aza-tetra-cyclo-[19.3.1.0(2,7).0(15,20)]penta-cosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate.

Hieu Truong Hong TH   Anh Le Tuan le T   Soldatenkov Anatoly T AT   Gorchakova Olga S OS   Khrustalev Victor N VN  

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

The title compound, C40H41NO8, is a product of the reduction of the cyclic carbonyl group of the γ-piperidone subunit of the aza-14-crown-4 ether with subsequent re-esterification of its dimethyl butenoate substituent into a monoethyl monomethyl group. The aza-crown macrocycle exhibits a bowl conformation with a dihedral angle of 70.82 (5)° between the benzene rings fused to it. The piperidine ring adopts a chair conformation and the methyl ethyl ethyl-enedi-carboxyl-ate fragment has a cis confo  ...[more]

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