3-Acetoxy-2-(acetyl­amino)pyridinium-1-squarate

3-Acetoxy-2-(acetyl­amino)pyridinium-1-squarate

The title compound, alternatively known as 3‐acetoxy‐2‐(acetylamino)pyridinium betaine of squaric acid, C13H10N2O6, has been synthesized. The bond distances within the squarate ring indicate two possible resonance structures. The mean planes of the pyridinium and squarate systems are inclined at an...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2005-03, Vol.61 (3), p.o148-o150
Hauptverfasser: Uçar, İbrahim, Bulut, Ahmet, Yeşilel, Okan Zafer, Odabaşoglu, Mustafa, Büyükgüngör, Orhan
Format: Artikel
Sprache:eng
Schlagworte:
Condensed matter: structure, mechanical and thermal properties
Crystalline state (including molecular motions in solids)
Exact sciences and technology
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
Theory of crystal structure, crystal symmetry
calculations and modeling
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Beschreibung
Zusammenfassung:The title compound, alternatively known as 3‐acetoxy‐2‐(acetylamino)pyridinium betaine of squaric acid, C13H10N2O6, has been synthesized. The bond distances within the squarate ring indicate two possible resonance structures. The mean planes of the pyridinium and squarate systems are inclined at an angle of 24.0 (2)° with respect to one another due to a strong intramolecular hydrogen‐bonding interaction between the amide NH group and a squarate O atom. In the extended structure, there are additional weak π–π and π–ring interactions, which also stabilize the crystal structure.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270104031841