6533b829fe1ef96bd128a317

RESEARCH PRODUCT

6-Amino-2-(pivaloylamino)pyridinium benzoate

Borys OśmiałowskiArto ValkonenLilianna Chęcińska

subject

mean (C–C) = 0.003 A˚StackingSalt (chemistry)Crystal structureT = 123 KBioinformaticsOrganic Paperschemistry.chemical_compoundwR factor = 0.141Pyridinesingle-crystal X-ray study6-Amino-2-(pivaloylamino)pyridinium benzoateGeneral Materials Science6-amino-2-(pivaloyyli)pyridiniumbentsoaattita116chemistry.chemical_classificationyksikideröntgendiffraktiotutkimusCrystallographyHydrogen bond6-amino-2-(pivaloyyli)pyridiinibentsoehappo6-amino-2-(pivaloylamino)pyridineR factor = 0.066General ChemistryCondensed Matter PhysicsCrystallographydata-to-parameter ratio = 16.9chemistryQD901-999Pyridinium

description

In the crystal structure of the title salt, C10H16N3O+·C7H5O2−, the cations and anions are linked to each other via N—H⋯O hydrogen bonds, forming infinite chains running along [010]. The crystal structure also features C—H⋯O and π–π stacking inter­actions, which assemble the chains into supra­molecular layers parallel to (100). The π–π stacking inter­actions are observed between the pyridine rings of inversion-related cations with a centroid–centroid distance of 3.867 (2) Å. Financial support from the National Science Centre in Kraków (grant No. NCN204 356840) is gratefully acknowledged. Academy Professor Kari Rissanen (Academy of Finland grant Nos. 122350, 140718, 265328 and 263256) and the University of Jyväsk­ylä (postdoc grant to AV) are also gratefully acknowledged for financial support.

yearjournalcountryeditionlanguage
2013-01-01Acta Crystallographica Section E-Structure Reports Online
10.1107/s1600536813023787https://doi.org/10.1107/S1600536813023787