Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate
The title pyrrolidine compound, C18H23NO7, is a tetra-substituted species in which the five-membered ring has a twisted conformation with the twist occurring in the C—C bond bearing the adjacent acetyloxy substituents; the Cm—Ca—Ca—Cp torsion angle is −40.76 (18)° [m = methylene, a = acetyloxy an...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2020
|
| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/1510/ http://eprints.sunway.edu.my/1510/1/Tiekink%20iucrdata%205%202020%20x201228.pdf |
| _version_ | 1848802074075070464 |
|---|---|
| author | Dallasta Pedroso, Sofia Caracelli, Ignez Zukerman-Schpector, Julio Soto-Monsalve, Monica De Almeida Santos, Regina H. Correia, Carlos Roque D. Llanes Garcia, A. L. Tiekink, Edward R. T. * |
| author_facet | Dallasta Pedroso, Sofia Caracelli, Ignez Zukerman-Schpector, Julio Soto-Monsalve, Monica De Almeida Santos, Regina H. Correia, Carlos Roque D. Llanes Garcia, A. L. Tiekink, Edward R. T. * |
| author_sort | Dallasta Pedroso, Sofia |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title pyrrolidine compound, C18H23NO7, is a tetra-substituted species in which the five-membered ring has a twisted conformation with the twist occurring in the C—C bond bearing the adjacent acetyloxy substituents; the Cm—Ca—Ca—Cp torsion angle is −40.76 (18)° [m = methylene, a = acetyloxy and p = phenyl]. The N atom, which is sp2-hybridized [sum of bond angles = 359.4°], bears an ethylcarboxylate substitutent and is connected to a methylene-C atom on one side and a carbon atom bearing a 4-methoxyphenyl group on the other side. Minor disorder is noted in the ethylcarboxylate substituent as well as in one of the acetyloxy groups; the major components of the disorder have site occupancies of 0.729 (9) and 0.62 (3), respectively. The most notable feature of the molecular packing is the formation of helical, supramolecular chains aligned along the b-axis direction whereby the carbonyl-O atom not involved in a disordered residue accepts C—H...O interactions from methylene-H and two-C atom separated methine-H atoms to form a six-membered {...HCCCH...O} synthon. |
| first_indexed | 2025-11-14T21:17:34Z |
| format | Article |
| id | sunway-1510 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:17:34Z |
| publishDate | 2020 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-15102020-11-09T06:08:02Z http://eprints.sunway.edu.my/1510/ Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate Dallasta Pedroso, Sofia Caracelli, Ignez Zukerman-Schpector, Julio Soto-Monsalve, Monica De Almeida Santos, Regina H. Correia, Carlos Roque D. Llanes Garcia, A. L. Tiekink, Edward R. T. * QD Chemistry The title pyrrolidine compound, C18H23NO7, is a tetra-substituted species in which the five-membered ring has a twisted conformation with the twist occurring in the C—C bond bearing the adjacent acetyloxy substituents; the Cm—Ca—Ca—Cp torsion angle is −40.76 (18)° [m = methylene, a = acetyloxy and p = phenyl]. The N atom, which is sp2-hybridized [sum of bond angles = 359.4°], bears an ethylcarboxylate substitutent and is connected to a methylene-C atom on one side and a carbon atom bearing a 4-methoxyphenyl group on the other side. Minor disorder is noted in the ethylcarboxylate substituent as well as in one of the acetyloxy groups; the major components of the disorder have site occupancies of 0.729 (9) and 0.62 (3), respectively. The most notable feature of the molecular packing is the formation of helical, supramolecular chains aligned along the b-axis direction whereby the carbonyl-O atom not involved in a disordered residue accepts C—H...O interactions from methylene-H and two-C atom separated methine-H atoms to form a six-membered {...HCCCH...O} synthon. International Union of Crystallography 2020-09-05 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1510/1/Tiekink%20iucrdata%205%202020%20x201228.pdf Dallasta Pedroso, Sofia and Caracelli, Ignez and Zukerman-Schpector, Julio and Soto-Monsalve, Monica and De Almeida Santos, Regina H. and Correia, Carlos Roque D. and Llanes Garcia, A. L. and Tiekink, Edward R. T. * (2020) Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate. IUCrData, 5. ISSN 2414-3146 http://doi.org/10.1107/S2414314620012286 doi:10.1107/S2414314620012286 |
| spellingShingle | QD Chemistry Dallasta Pedroso, Sofia Caracelli, Ignez Zukerman-Schpector, Julio Soto-Monsalve, Monica De Almeida Santos, Regina H. Correia, Carlos Roque D. Llanes Garcia, A. L. Tiekink, Edward R. T. * Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| title | Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| title_full | Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| title_fullStr | Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| title_full_unstemmed | Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| title_short | Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| title_sort | ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/1510/ http://eprints.sunway.edu.my/1510/ http://eprints.sunway.edu.my/1510/ http://eprints.sunway.edu.my/1510/1/Tiekink%20iucrdata%205%202020%20x201228.pdf |