Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate

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

Preview

Text Tiekink iucrdata 5 2020 x201228.pdf - Accepted Version Available under License Creative Commons Attribution Non-commercial. Download (684kB) | Preview

Abstract

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.

Actions (login required)

View Item