Search results for "T = 123 K"

showing 2 items of 2 documents

6-Amino-2-(pivaloylamino)pyridinium benzoate

2013

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 th…

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 = 16.9chemistryQD901-999PyridiniumActa Crystallographica Section E-Structure Reports Online
researchProduct

N-[2-(2,2-Di­methyl­propanamido)­pyrimidin-4-yl]-2,2-di­methyl­propanamide n-hexane 0.25-solvate hemihydrate

2013

The asymmetric unit of the title compound, C14H22N4O2·0.25C6H14·0.5H2O, contains two independent molecules of 2,4-bis(pivaloylamino)pyrimidine (M) with similar conformations, one water molecule and one-halfn-hexane solvent molecule situated on an inversion center. In one independentMmolecule, one of the twotert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. Then-hexane solvent molecule is disordered between two conformations in the same ratio. The water molecule bridges two independentMmoleculesviaO—H...O, N—H...O and O—H...N hydrogen bonds into a 2M·H2O unit, and these units are further linked by N—H...N hydrogen bonds into chains running in the [010] dire…

CrystallographyHydrogen bondHemihydrateGeneral Chemistrydata-to-parameter ratio = 14.2T = 123 KR factor = 0.079Condensed Matter PhysicsBioinformaticsPropanamideOrganic PapersSolventHexaneCrystallographychemistry.chemical_compoundwR factor = 0.164chemistryQD901-999mean σ(C–C) = 0.006 Åsingle-crystal X-ray studyGeneral Materials Scienceta116disorder in main residue
researchProduct