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The first crystal structure of the pyrrolo-[1,2-c]oxazole ring system.

ABSTRACT: The title compound, C₇H₄F₃NO₂, 3-tri-fluoro-methyl-1H-pyrrolo-[1,2-c]oxazol-1-one, is the first crystal structure of the pyrrolo-[1,2-c]oxazole ring system: the fused ring system is almost planar (r.m.s. deviation = 0.006?Å). In the crystal, weak C-H?O and C-H?F hydrogen bonds link the mol-ecules into [001] chains and ?-? stacking inter-actions consolidate the structure.

SUBMITTER: Zreigh MM

PROVIDER: S-EPMC6727063 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature

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The first crystal structure of the pyrrolo-[1,2-c]oxazole ring system.

Zreigh Mohamed M MM Adams Harry H Jackson Richard F W RFW Robertson Craig C CC

Acta crystallographica. Section E, Crystallographic communications 20190823 Pt 9

The title compound, C7H4F3NO2, 3-tri-fluoro-methyl-1H-pyrrolo-[1,2-c]oxazol-1-one, is the first crystal structure of the pyrrolo-[1,2-c]oxazole ring system: the fused ring system is almost planar (r.m.s. deviation = 0.006 Å). In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into [001] chains and π-π stacking inter-actions consolidate the structure. ...[more]

PMID: 31523461

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