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International Union of Crystallography, Acta Crystallographica Section E: Crystallographic Communications, 11(71), p. 1401-1407, 2015

DOI: 10.1107/s2056989015020046

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Crystal structure and absolute configuration of (3S,4aS,8aS)-N-tert-butyl-2-[(S)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide and (3S,4aS,8aS)-N-tert-butyl-2-{(S)-2-[(S)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide

Journal article published in 2015 by Tucker Maxson, Jeffery A. Bertke, Danielle L. Gray, Douglas A. Mitchell ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The crystal structure and absolute configuration of the two new title nelfinavir analogs, C24H35ClN4O5, (I), and C27H39ClN4O5, (II), have been determined. Each of these molecules exhibits a number of disordered moieties. There are intramolecular N—H...O hydrogen bonds in both (I) and (II). In (I) it involves the two carboxamide groups, while in (II) it involves theN-tert-butyl carboxamide group and the 2-hydroxyl O atom. The intermolecular hydrogen bonding in (I) (O—H...O and N—H...O) leads to two-dimensional sheets that extend parallel to theacplane. The intermolecular hydrogen bonding in (II) (O—H...O) leads to chains that extend parallel to theaaxis.