Jing-Jing Nie

Poly[[tris­(μ3-2-oxidopyridinium-3-carboxyl­ato)manganese(II)sodium(I)] monohydrate]

In the crystal structure of the title compound, {[MnNa(C6H4NO3)3]·H2O}n, the MnII cation is located on a threefold rotation axis and is chelated by three 2-oxidopyridinium-3-carboxylate (opc) anions in an octahedal coordination. The NaI cation is located on a threefold rotation axis and is surrounded by six O atoms from three opc anions. The opc anions link the Mn and Na cations, forming a three-dimensional polymeric structure. The uncoordinated water molecule, located on a threefold rotation axis, is equally disordered over two sites. The three-dimensional network is consolidated by N—H⋯O hydrogen bonds.

Intramolecular π–π stacking in diaquabis(2-hydroxybenzoato-κO)bis(1,10-phenanthroline-κ2N,N′)strontium(II)

In the title compound, [Sr(C7H5O3)2(C12H8N2)2(H2O)2], the Sr(II) ion is located on a twofold rotation axis and assumes a distorted square-antiprism SrN4O4 coordination geometry, formed by two phenanthroline (phen) ligands, two 2-hydroxybenzoate anions and two water molecules. Within the mononuclear complex molecule, intramolecular pi-pi stacking is observed between nearly parallel coordinated phen ligands, while normal intermolecular pi-pi stacking occurs between parallel phen ligands of adjacent complex molecules. Classic O-H...O and weak C-H...O hydrogen bonding helps to stabilize the crystal structure.

The crystal structure of the molecular complex of camphoramic acid with mandelic acid: A partial separation of a racemic mixture of mandelic acid by (1R,3S)-camphoramic acid

From an ethanol/water solution containing (1R,3S)-camphoramic acid and a racemic mixture of mandelic acid, the title complex crystallizes in the space group P212121 with a = 8.015(2), b = 11.041(2), c = 21.781(4) Å. Both molecular complexes, the (1R,3S)-camphoramic acid (S)-mandelic acid complex and the (1R,3S)-camphoramic acid (R)-mandelic acid complex, randomly distribute in a disordered crystal structure with an approximate molar ratio of 3:1, thus a 3:1 separation of the mandelic acid enantiomers was achieved. Molecules of (S)-mandelic and (R)-mandelic acid form very similar intermolecular interactions with adjacent camphoramic acid and water molecules in the structure. This results in the formation of a cocrystal containing two diastereomers. The crystal structure consists of camphoramic acid layers and mandelic acid layers. An extensive H-bonding network occurs within and between the layers.

2-Amino-4-methyl-pyridinium 4-amino-benzoate.

In the structure of the title salt, C6H9N2 +·C7H6NO2 −, the 4-aminobenzoate anions are linked to adjacent anions and 2-amino-4-methylpyridinium cations via N—H⋯O hydrogen bonds, forming a three-dimensional supramolecular structure. The crystal structure also shows a weak C—H⋯O hydrogen bond between adjacent anions. Within the 4-aminobenzoate anion, the carboxylate group is twisted by 14.0 (4)° with respect to the benzene ring.

Synthesis and Crystal Structure of BIS(Imidazole)(µ-Succinato) Manganese(II)

The title complex was prepared by reaction of succinatomanganese(II) with imidazole in water-ethanol. The complex crystallizes in orthorhombic space group Pna 2 1 with a = 7.9990(15), b = 14.8690(15), c = 11.028(2) Å. The metal assumes a distorted octahedral coordination. In the crystal, each succinate dianion bridges three Mn(II) atoms to form a polymer with a layered structure.

Bis(pyrimidine-2-carboxyl­ato-κ2N,O)copper(II)

The title compound, [Cu(C5H3N2O2)2], was prepared in a water–ethanol solution containing 2-cyanopyrimidine, malonic acid and copper(II) nitrate trihydrate. The CuII ion, located on an inversion center, is chelated by two pyrimidine-2-carboxylate anions in a CuO2N2 square-planar geometry. The uncoordinated carboxylate O atom and pyrimidine N atoms are linked to adjacent pyrimidine rings via weak C—H⋯O and C—H⋯N hydrogen bonding. π–π Stacking is observed between nearly parallel pyrimidine rings, the centroid-to-centroid separation being 3.8605 (13) Å.

Hexakis(1H-imidazole-κN3)mangan­ese(II) triaqua­tris(1H-imidazole-κN3)manganese(II) bis­(naphthalene-1,4-dicarboxyl­ate)

In the crystal structure of the title compound, [Mn(C(3)H(4)N(2))(6)][Mn(C(3)H(4)N(2))(3)(H(2)O)(3)](C(12)H(6)O(4))(2), there are uncoordinated naphthalene-dicarboxyl-ate dianions and two kinds of Mn(II) complex cations, both assuming a distorted octa-hedral geometry. One Mn(II) cation is located on an inversion center and is coordinated by six imidazole mol-ecules, while the other Mn(II) cation is located on a twofold rotation axis and is coordinated by three water mol-ecules and three imidazole units. The naphthalene-dicarboxyl-ate dianions are linked to both Mn(II) complex cations via O-H⋯O and N-H⋯O hydrogen bonding, but no π-π stacking is observed between aromatic rings in the crystal structure.

Bis(μ-imino-diacetato)bis-[(2,2'-diamino-4,4'-bi-1,3-thia-zole)lead(II)] tetra-hydrate.

In the crystal structure of the title compound, [Pb2(C4H5NO4)2(C6H6N4S2)2]·4H2O, the dinuclear PbII complex molecule is centrosymmetric. The Pb atom is chelated by a tridentate iminodiacetate anion (IDA) and a diaminobithiazole (DABT) ligand, while a carboxylate O atom from an adjacent IDA anion further bridges the Pb atom with a longer Pb—O bond [2.892 (3) Å]. The lone-pair electrons of the Pb atom occupy an axial site in the Ψ-pentagonal-bipyramidal coordination polyhedron. The IDA anion displays a facial configuration: its chelating five-membered rings assume an envelope configuration. Within the DABT ligand, the two thiazole rings are twisted relative to each other, making a dihedral angle of 9.51 (17)°. Extensive N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonding helps to stabilize the crystal structure.

Eplerenone ethanol solvate

Eplerenone [systematic name: 7α-(methoxycarbonyl)-3-oxo-9α,11-epoxy-17α-pregn-4-ene-21,17-carbolactone], an aldosterone receptor antagonist, crystallizes from ethanol as a monosolvate, C24H30O6·C2H6O. The eplerenone molecule has two five-membered rings, three six-membered rings and one three-membered ring. Both five-membered rings display envelope conformations, while the three six-membered rings assume envelope (cyclohexene), half-chair (cyclohexane sharing one edge with epoxy) and chair (other cyclohexane) conformations. The solvent molecule is disordered equally over two sites. It is linked to the eplerenone molecule by hydrogen bonds.

Diaquabis(2,5-dihydroxybenzoato-κO)bis(1,10-phenanthroline-κ2N,N′)strontium(II) bis(1,10-phenanthroline) tetrahydrate

The title compound, [Sr(C(7)H(5)O(4))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)].2C(12)H(8)N(2).4H(2)O, consists of an Sr(II) complex, uncoordinated phenanthroline (phen) molecules and solvent water molecules. The Sr(II) ion is located on a twofold axis and is coordinated by two phen ligands, two dihydroxybenzoate anions and two water molecules in a distorted tetragonal antiprismatic geometry. Partially overlapped arrangements exist between parallel coordinated and parallel uncoordinated phen rings; the face-to-face separations between the former (coordinated) and the latter (uncoordinated) rings are 3.436 (13) and 3.550 (14) A, respectively. This difference suggests the effect of metal coordination on pi-pi stacking between phen rings.