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4-Acetyl-3-[2-(eth-oxy-carbon-yl)phen-yl]sydnone.

ABSTRACT: Sydnones, which contain a mesoionic five-membered heterocyclic ring, are more stable if synthesized with an aromatic substutuent at the N3 position. In the title compound {sys-tematic name: 4-acetyl-3-[2-(eth-oxy-carbon-yl)phen-yl]-1,2,3-oxa-diazol-3-ylium-5-olate}, C13H12N2O5, the aromatic substitutent is 2-(eth-oxy-carbon-yl)phenyl. Intra- and inter-molecular hydrogen bonds are observed. The inter-planar angle between the sydnone and benzene rings is 71.94?(8)°. ?-ring?carbon-yl inter-actions of 3.2038?(16)?Å arise between the sydnone ring and a symmetry-related C=O group.

SUBMITTER: Grossie D

PROVIDER: S-EPMC3884322 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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4-Acetyl-3-[2-(eth-oxy-carbon-yl)phen-yl]sydnone.

Grossie David D Harrison Leanna L Turnbull Kenneth K

Acta crystallographica. Section E, Structure reports online 20131019 Pt 11

Sydnones, which contain a mesoionic five-membered heterocyclic ring, are more stable if synthesized with an aromatic substutuent at the N3 position. In the title compound {sys-tematic name: 4-acetyl-3-[2-(eth-oxy-carbon-yl)phen-yl]-1,2,3-oxa-diazol-3-ylium-5-olate}, C13H12N2O5, the aromatic substitutent is 2-(eth-oxy-carbon-yl)phenyl. Intra- and inter-molecular hydrogen bonds are observed. The inter-planar angle between the sydnone and benzene rings is 71.94 (8)°. π-ring⋯carbon-yl inter-actions ...[more]

PMID: 24454098

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