Crystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone

Victor Li; Glenn P A Yap; Chaoying Ni

doi:10.1107/S2056989024001920

Crystal structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone

Acta Crystallogr E Crystallogr Commun. 2024 Mar 19;80(Pt 4):375-377. doi: 10.1107/S2056989024001920. eCollection 2024 Mar 1.

Authors

Victor Li¹, Glenn P A Yap², Chaoying Ni³

Affiliations

¹ W. M. Keck Center for Advanced Microscopy and Microanalysis, University of Delaware, Newark, DE 19716, USA.
² Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716, USA.
³ Department of Materials Science and Engineering, University of Delaware, Newark, DE 19716, USA.

Abstract

The structure of (S)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone, C₁₃H₁₃ClFNO₄, at 100 K has monoclinic (P2₁) symmetry. The compound has a polymeric structure propagated by a screw axis parallel to the b axis with N-H⋯O hydrogen bonding. It is of inter-est with respect to efforts in the synthesis of a candidate anti-cancer drug, parsaclisib.

Keywords: anti-cancer; crystal structure; drug; kinase inhibitor; oxazolidinone; parsaclib; pharmaceutical.

Grants and funding

S10 OD026896/OD/NIH HHS/United States