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Crystal structure of 1-benzyl-2-hy-droxy-5-oxopyrrolidin-3-yl acetate.

ABSTRACT: In the title compound, C13H15NO4, the oxopyrrolidin-3-yl ring has an envelope conformation, with the C atom bearing the acetate group being the flap. The acetate and phenyl groups are inclined with respect to the central ring, forming dihedral angles of 50.20?(12) and 87.40?(9)°, respectively, with the least-squares plane through the ring. The dihedral angle between the acetate group and the phenyl ring is 63.22?(8)°, indicating a twisted conformation in the mol-ecule. In the crystal, supra-molecular chains along the b axis are formed by (hy-droxy)O-H?O(ring carbon-yl) hydrogen bonds. The chains are consolidated into the three-dimensional architecture by C-H?O inter-actions.

SUBMITTER: Caracelli I

PROVIDER: S-EPMC4571408 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 1-benzyl-2-hy-droxy-5-oxopyrrolidin-3-yl acetate.

Caracelli Ignez I Zukerman-Schpector Julio J Stefani Hélio A HA Ali Bakhat B Tiekink Edward R T ER

Acta crystallographica. Section E, Crystallographic communications 20150717 Pt 8

In the title compound, C13H15NO4, the oxopyrrolidin-3-yl ring has an envelope conformation, with the C atom bearing the acetate group being the flap. The acetate and phenyl groups are inclined with respect to the central ring, forming dihedral angles of 50.20 (12) and 87.40 (9)°, respectively, with the least-squares plane through the ring. The dihedral angle between the acetate group and the phenyl ring is 63.22 (8)°, indicating a twisted conformation in the mol-ecule. In the crystal, supra-mole ...[more]

PMID: 26396808

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