In the title compound, C(12)H(9)N(2) (+)·C(7)F(5)O(2) (-)·2C(7)HF(5)O(2), the cation and anion are linked by an N-H⋯O hydrogen bond. The neutral mol-ecules bond to the anion via O-H⋯O hydrogen bonds to form associations of one cation, one anion and two neutral mol-ecules. Inter-molecular C-H⋯O, C-H⋯F, F⋯F [shortest contact = 2.768 (8) Å], F⋯π [shortest contact = 3.148 (13) Å] and π-π [shortest ...

Binary mixtures of room temperature ionic liquids (IL) with a common cation were investigated using atomistic molecular dynamics (MD) simulations. Two different binary ILs, viz., [C4mim][PF6]-[C4mim][Cl] and [C4mim][PF6]-[C4mim][BF4], were studied with varying fractions of either anion. The coordination environment of an anion around the cation is altered in the presence of another type of anio...

The title complex, {[Ni(C(7)H(7)N(4)O(2))]OH}(n), has been prepared through hydro-thermal synthesis. The asymmetric unit contains one [Ni(TH)](+) cation (TH is the theophylline anion) and one hydroxide anion. The Ni(2+) ion is coordinated by two N atoms from two neighboring theophylline anions. The alternating linkage of the Ni(2+) cation and theophylline anion results in a one-dimensional chai...

In the structure of the title salt, C(12)H(10)N(3)O(4) (+)·C(7)H(3)N(2)O(7) (-), the cations and the anions are linked by a single N(+)-H⋯O(carbox-yl) hydrogen bond, the discrete cation-anion unit having no inter-molecular associations other than weak cation-anion aromatic ring π-π inter-actions [ring centroid separation = 3.7320 (14) Å] and a number of weak inter-unit aromatic C-H⋯O contacts. ...

BACKGROUND Cryohydrocytosis is an inherited dominant hemolytic anemia characterized by mutations in a transmembrane segment of the anion exchanger (band 3 protein). Transfection experiments performed in Xenopus oocytes suggested that these mutations may convert the anion exchanger into a non-selective cation channel. The present study was performed to characterize so far unexplored ion transpor...

The title compound, [Na(C12H8N2O8P)], consists of one Na(+) cation and one bis-(p-nitro-phen-yl)phosphate anion with a considerable distortion of the phosphate tetra-hedron due to the presence of two P-O ester bonds. The anion bridges five Na(+) cations whereby each cation is chelated by the nitro O atoms of one anion and bonded via a nitro O atom and phosphate O atoms to four other anions. Thi...

In the title salt, C(11)H(13)N(2) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angles between the benzene ring in the cation and the imidazolium ring and the benzene ring of the picrate anion are 113.7 (2) and 116.3 (2)°, respectively. The imidazolium ring is nearly parallel to the benzene ring of the picrate anion, the dihedral angle between the planes being 2.6 (1)°. The nitro groups in the picrate...

Competitive binding between counterions around DNA molecule is characterized using the preferential interaction coefficient of individual ion in single and mixed electrolyte solutions. The canonical Monte Carlo (MC) simulation, nonlinear Poisson-Boltzmann (PB) equation, and density functional theory (DFT) proposed in our previous work [Wang, Yu, Gao, and Luo, J. Chem. Phys. 123, 234904 (2005)] ...

In the title hydrated molecular salt, C(12)H(9)N(2) (+)·C(4)H(5)O(6) (-)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.014 Å); the carbon skeleton of the anion assumes a trans conformation [C-C-C-C torsion angle = -179.86 (14)°]. The carboxyl end of one hydrogen tartrate anion forms a short hydrogen bond to the carboxyl-ate end of another anion [O⋯O = 2.508 (2) Å] in a head-to-tail ...