(1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate
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 azacrown macrocycle exhibits a bow...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2013-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813014748 |
| _version_ | 1798030844366946304 |
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| author | Truong Hong Hieu Le Tuan Anh Anatoly T. Soldatenkov Olga S. Gorchakova Victor N. Khrustalev |
| author_facet | Truong Hong Hieu Le Tuan Anh Anatoly T. Soldatenkov Olga S. Gorchakova Victor N. Khrustalev |
| author_sort | Truong Hong Hieu |
| collection | DOAJ |
| description | 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 azacrown 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 ethylenedicarboxylate fragment has a cis conformation, with a dihedral angle of 66.51 (7)° between the two carboxylate groups. The ethyl group is disordered over two sites with occupancies of 0.70 (1):0.30 (1). In the crystal, molecules form inversion dimers, via pairs of O—H...O hydrogen bonds, that stack along the a axis. |
| first_indexed | 2024-04-11T19:47:53Z |
| format | Article |
| id | doaj.art-241526369787411c97a6a372409e96e1 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T19:47:53Z |
| publishDate | 2013-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-241526369787411c97a6a372409e96e12022-12-22T04:06:24ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-07-01697o1023o102410.1107/S1600536813014748(1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioateTruong Hong HieuLe Tuan AnhAnatoly T. SoldatenkovOlga S. GorchakovaVictor N. KhrustalevThe 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 azacrown 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 ethylenedicarboxylate fragment has a cis conformation, with a dihedral angle of 66.51 (7)° between the two carboxylate groups. The ethyl group is disordered over two sites with occupancies of 0.70 (1):0.30 (1). In the crystal, molecules form inversion dimers, via pairs of O—H...O hydrogen bonds, that stack along the a axis.http://scripts.iucr.org/cgi-bin/paper?S1600536813014748 |
| spellingShingle | Truong Hong Hieu Le Tuan Anh Anatoly T. Soldatenkov Olga S. Gorchakova Victor N. Khrustalev (1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate Acta Crystallographica Section E |
| title | (1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate |
| title_full | (1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate |
| title_fullStr | (1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate |
| title_full_unstemmed | (1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate |
| title_short | (1R*,21S*,22R*,24S*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.02,7.015,20]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate |
| title_sort | 1r 21s 22r 24s methyl ethyl 2 23 hydroxy 22 24 diphenyl 8 11 14 trioxa 25 azatetracyclo 19 3 1 02 7 015 20 pentacosa 2 4 6 15 20 16 18 hexaen 25 yl but 2 enedioate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813014748 |
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