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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 {systematic name: 4-acetyl-3-[2-(ethoxycarbonyl)phenyl]-1,2,3-oxadiazol-3-ylium-5-olate}, C13H12N2O5, the aromatic substitutent is 2-(ethoxycarbonyl)phenyl. Intra- and intermolecular hydrogen bonds are observed. The interplanar angle between the sydnone and benzene rings is 71.94 (8)°. π-ring⋯carbonyl interactions of 3.2038 (16) Å arise between the sydnone ring and a symmetry-related C=O group.
Highlights
= 0.12 mmÀ1 T = 173 K 0.22 Â 0.20 Â 0.17 mm 13826 measured reflections 3718 independent reflections 2783 reflections with I > 2(I) Rint = 0.038
For stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GG2123)
Summary
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) Tmin = 0.90, Tmax = 0.98. = 0.12 mmÀ1 T = 173 K 0.22 Â 0.20 Â 0.17 mm 13826 measured reflections 3718 independent reflections 2783 reflections with I > 2(I) Rint = 0.038. 181 parameters H-atom parameters constrained Ámax = 0.49 e A À3 Ámin = À0.38 e A À3. 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 {systematic name: 4-acetyl-3-[2-(ethoxycarbonyl)phenyl]1,2,3-oxadiazol-3-ylium-5-olate}, C13H12N2O5, the aromatic substitutent is 2-(ethoxycarbonyl)phenyl. The interplanar angle between the sydnone and benzene rings is 71.94 (8). RingÁ Á Ácarbonyl interactions of 3.2038 (16) Aarise between the sydnone ring and a symmetry-related C O group The interplanar angle between the sydnone and benzene rings is 71.94 (8). ringÁ Á Ácarbonyl interactions of 3.2038 (16) Aarise between the sydnone ring and a symmetry-related C O group
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