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Ethyl 4-hy-droxy-1-methyl-5-oxo-2-phenyl-pyrrolidine-3-carboxyl-ate 1.25-hydrate.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(17)NO(4)·1.25H(2)O, consists of four substituted pyrrolidone mol-ecules (two pairs of enanti-omers) and five water mol-ecules. The five-membered rings each have an envelope conformation, with the C atom bonded to the ester group as the flap. The mean planes of the five-membered rings of the four pyrrolidone mol-ecules make dihedral angles of 60.87?(5), 64.45?(5), 62.03?(5) and 65.79?(5)° with respect to the phenyl rings. In the crystal, the pyrrolidone and water mol-ecules are connected through O-H?O hydrogen bonds, forming a layer parallel to the ab plane. The two-dimensional network is further stabilized by inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Mansor NS

PROVIDER: S-EPMC3569816 | biostudies-other | 2013 Feb

REPOSITORIES: biostudies-other

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Ethyl 4-hy-droxy-1-methyl-5-oxo-2-phenyl-pyrrolidine-3-carboxyl-ate 1.25-hydrate.

Mansor Nurul Shulehaf NS Mohammat Mohd Fazli MF Shaameri Zurina Z Khaledi Hamid H

Acta crystallographica. Section E, Structure reports online 20130126 Pt 2

The asymmetric unit of the title compound, C(14)H(17)NO(4)·1.25H(2)O, consists of four substituted pyrrolidone mol-ecules (two pairs of enanti-omers) and five water mol-ecules. The five-membered rings each have an envelope conformation, with the C atom bonded to the ester group as the flap. The mean planes of the five-membered rings of the four pyrrolidone mol-ecules make dihedral angles of 60.87 (5), 64.45 (5), 62.03 (5) and 65.79 (5)° with respect to the phenyl rings. In the crystal, the pyrro ...[more]

PMID: 23424562

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