Crystal structure and Hirshfeld surface analysis of ethyl 5-phenylisoxazole-3-carboxylate

Crystal structure and Hirshfeld surface analysis of ethyl 5-phenylisoxazole-3-carboxylate

The title compound, C12H11NO3, is an intermediate used in the synthesis of many drug-like molecules. The molecule is almost planar, with the phenyl ring inclined to the isoxazole ring by 0.5 (1)°. The ester moiety has an extended conformation and is almost in the same plane with respect to the isoxa...

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Bibliographic Details
Main Authors: Althaf Shaik, Sivapriya Kirubakaran, Vijay Thiruvenkatam
Format: Article
Language:English
Published: International Union of Crystallography 2017-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
isoxazole derivative
drug intermediate
Hirshfeld surface
hydrogen bonding
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989017003127

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http://scripts.iucr.org/cgi-bin/paper?S2056989017003127

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