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

Mansor NS, Mohammat MF, Shaameri Z, Khaledi H - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Organic Synthesis Labratory, Institute of Science, Universiti Tecknologi MARA, 40450 Shah Alam, Selangor, Malaysia.

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.

No MeSH data available.


The molecular structure of one of the four independent organic molecules in the asymmetric unit (molecule A), showing atom-labelling scheme and thermal ellipsoids at 50% probability levels. The other three organic molecules are labelled in a similar manner.
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Fap2: The molecular structure of one of the four independent organic molecules in the asymmetric unit (molecule A), showing atom-labelling scheme and thermal ellipsoids at 50% probability levels. The other three organic molecules are labelled in a similar manner.


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

Mansor NS, Mohammat MF, Shaameri Z, Khaledi H - Acta Crystallogr Sect E Struct Rep Online (2013)

The molecular structure of one of the four independent organic molecules in the asymmetric unit (molecule A), showing atom-labelling scheme and thermal ellipsoids at 50% probability levels. The other three organic molecules are labelled in a similar manner.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569816&req=5

Fap2: The molecular structure of one of the four independent organic molecules in the asymmetric unit (molecule A), showing atom-labelling scheme and thermal ellipsoids at 50% probability levels. The other three organic molecules are labelled in a similar manner.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Organic Synthesis Labratory, Institute of Science, Universiti Tecknologi MARA, 40450 Shah Alam, Selangor, Malaysia.

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.

No MeSH data available.