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4-{[(4Z)-5-Oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl-idene]meth-yl}phenyl acetate.

ABSTRACT: The title mol-ecule, C(18)H(13)NO(4), shows a dihedral angle between the terminal acetyl group (r.m.s. deviation = 0.0081?Å) and remaining non-H atoms (r.m.s. = 0.0734?Å) of 53.45?(7)°. The configuration about the central olefinic bond is Z and overall the mol-ecule has a U-shaped conformation. Supra-molecular chains along the b-axis direction are found in the crystal structure. These are stabilized by (C=O)??(ring centroid of the 1,3-oxazole ring) inter-actions [3.370?(2)?Å].

SUBMITTER: Baldaniya BB

PROVIDER: S-EPMC2979071 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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4-{[(4Z)-5-Oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl-idene]meth-yl}phenyl acetate.

Baldaniya Bharat B BB Jotani Mukesh M MM Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100428 Pt 5

The title mol-ecule, C(18)H(13)NO(4), shows a dihedral angle between the terminal acetyl group (r.m.s. deviation = 0.0081 Å) and remaining non-H atoms (r.m.s. = 0.0734 Å) of 53.45 (7)°. The configuration about the central olefinic bond is Z and overall the mol-ecule has a U-shaped conformation. Supra-molecular chains along the b-axis direction are found in the crystal structure. These are stabilized by (C=O)⋯π(ring centroid of the 1,3-oxazole ring) inter-actions [3.370 (2) Å]. ...[more]

PMID: 21579216

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