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Gerty T. and Carl F. Cori discovered, during research on the metabolism of sugars in organisms, the important role of the phosphate ester of a simple sugar. Glucose molecules are released from glycogen—the glucose stored in the liver—in the presence of phosphates and enter the blood as α-D-glucose-1-phosphate (Glc-1PH2). Currently, the crystal structure of three phosphates, Glc-1PNa2·3.5·H2O, Glc-1PK2·2H2O, and Glc-1PHK, is known. Research has shown that reactions of Glc-1PH2 with carbonates produce new complexes with ammonium ions [Glc-1P(NH4)2·3H2O] and mixed complexes: potassium–sodium and ammonium–sodium [Glc-1P(X)1.5Na0.5·4H2O; X = K or NH4]. The crystallization of dicationic complexes has been carried out in aqueous systems containing equimolar amounts of cations (1:1; X–Na). It was found that the first fractions of crystalline complexes always had cations in the ratio 3/2:1/2. The second batch of crystals obtained from the remaining mother liquid consisted either of the previously studied Na+, K+ or NH4+ complexes, or it was a new sodium hydrate—Glc-1PNa2·5·H2O. The isolated ammonium–potassium complex shows an isomorphic cation substitution and a completely unique composition: Glc-1PH(NH4)xK1−x (x = 0.67). The Glc-1P2− ligand has chelating fragments and/or bridging atoms, and complexes containing one type of cation show different modes of coordinating oxygen atoms with cations. However, in the case of the potassium–sodium and ammonium–sodium structures, high structural similarities are observed. The 1D and 2D NMR spectra showed that the conformation of Glc-1P2− is rigid in solution as in the solid state, where only rotations of the phosphate group around the C-O-P bonds are observed. [ABSTRACT FROM AUTHOR]

Gerty T. and Carl F. Cori discovered, during research on the metabolism of sugars in organisms, the important role of the phosphate ester of a simple sugar. Glucose molecules are released from glycogen—the glucose stored in the liver—in the presence of phosphates and enter the blood as α-D-glucose-1-phosphate (Glc-1PH2). Currently, the crystal structure of three phosphates, Glc-1PNa2·3.5·H2O, Glc-1PK2·2H2O, and Glc-1PHK, is known. Research has shown that reactions of Glc-1PH2 with carbonates produce new complexes with ammonium ions [Glc-1P(NH4)2·3H2O] and mixed complexes: potassium–sodium and ammonium–sodium [Glc-1P(X)1.5Na0.5·4H2O; X = K or NH4]. The crystallization of dicationic complexes has been carried out in aqueous systems containing equimolar amounts of cations (1:1; X–Na). It was found that the first fractions of crystalline complexes always had cations in the ratio 3/2:1/2. The second batch of crystals obtained from the remaining mother liquid consisted either of the previously studied Na+, K+ or NH4+ complexes, or it was a new sodium hydrate—Glc-1PNa2·5·H2O. The isolated ammonium–potassium complex shows an isomorphic cation substitution and a completely unique composition: Glc-1PH(NH4)xK1−x (x = 0.67). The Glc-1P2− ligand has chelating fragments and/or bridging atoms, and complexes containing one type of cation show different modes of coordinating oxygen atoms with cations. However, in the case of the potassium–sodium and ammonium–sodium structures, high structural similarities are observed. The 1D and 2D NMR spectra showed that the conformation of Glc-1P2− is rigid in solution as in the solid state, where only rotations of the phosphate group around the C-O-P bonds are observed.

The complex of 2,4,6-triethyl-1,3,5-tris[(4-methyl-1H-indazol-1-yl)methyl]benzene with ammonium hexafluorophosphate, C39H42N6·NH4+·PF6−, crystallizes in the monoclinic space group P21 with two molecules of the receptor, two NH4+ and two PF6− ions in the asymmetric unit. In each of the complexes the ammonium ion resides in the cavity of the receptor molecule and is fixed in its position by three N—H...N bonds, while the remaining hydrogen atom of the cation acts as a bifurcated binding site for N—H...F bonding to the counter-anion. The crystal is composed of one-dimensional supramolecular aggregates extending along the a-axis direction.

The complex of 2,4,6-tri­ethyl-1,3,5-tris­[(4-methyl-1H-indazol-1-yl)meth­yl]­benz­ene with ammonium hexa­fluorophosphate, C39H42N6·NH4+·PF6-, crystallizes in the monoclinic space group P21 with two mol­ecules of the receptor, two NH4+ and two PF6- ions in the asymmetric unit. In each of the complexes the ammonium ion resides in the cavity of the receptor mol­ecule and is fixed in its position by three N--H⋯N bonds, while the remaining hydrogen atom of the cation acts as a bifurcated binding site for N--H⋯F bonding to the counter-anion. The crystal is composed of one-dimensional supra­molecular aggregates extending along the a-axis direction. [ABSTRACT FROM AUTHOR]

The complex of 2,4,6-tri­ethyl-1,3,5-tris­[(4-methyl-1H-indazol-1-yl)meth­yl]­benz­ene with ammonium hexa­fluorophosphate, C39H42N6·NH4+·PF6-, crystallizes in the monoclinic space group P21 with two mol­ecules of the receptor, two NH4+ and two PF6- ions in the asymmetric unit. In each of the complexes the ammonium ion resides in the cavity of the receptor mol­ecule and is fixed in its position by three N--H⋯N bonds, while the remaining hydrogen atom of the cation acts as a bifurcated binding site for N--H⋯F bonding to the counter-anion. The crystal is composed of one-dimensional supra­molecular aggregates extending along the a-axis direction. [ABSTRACT FROM AUTHOR]

New crystalline complexes of hexapodal pyrazole-based hosts with NH 4 + PF 6 − and/or solvent molecules were obtained and detailed analysed. The binding motifs observed between the binding partners give valuable insights into the phenomena of molecular recognition processes. Analyses of the conformations of the hexasubstituted benzene derivatives have shown that both ababab as well as abbabb and aaabbb conformations of the haxapodal compounds 1 – 3 are observed in the crystal structures 1a – d , 2 , 2a , 3a and 3b . [ABSTRACT FROM AUTHOR]

The complex of 2,4,6-tri-ethyl-1,3,5-tris-[(4-methyl-1 H -indazol-1-yl)meth-yl]-benz-ene with ammonium hexa-fluorophosphate, C 39 H 42 N 6 ·NH 4 + ·PF 6 - , crystallizes in the monoclinic space group P 2 1 with two mol-ecules of the receptor, two NH 4 + and two PF 6 - ions in the asymmetric unit. In each of the complexes the ammonium ion resides in the cavity of the receptor mol-ecule and is fixed in its position by three N-H⋯N bonds, while the remaining hydrogen atom of the cation acts as a bifurcated binding site for N-H⋯F bonding to the counter-anion. The crystal is composed of one-dimensional supra-molecular aggregates extending along the a -axis direction., (© Fuhrmann et al. 2022.)