Acta crystallographica. Section E, Structure reports online最新文献

The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis. Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively. In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present.

The structures of the ammonium salts of phen-oxy-acetic acid, NH4 (+)·C8H6O3 (-), (I), (4-fluoro-phen-oxy)acetic acid, NH4 (+)·C8H5FO3 (-), (II), and the herbicidally active (4-chloro-2-methyl-phen-oxy)acetic acid (MCPA), NH4 (+)·C9H8ClO3 (-)·0.5H2O, (III) have been determined. All have two-dimensional layered structures based on inter-species ammonium N-H⋯O hydrogen-bonding associations, which give core substructures consisting primarily of conjoined cyclic motifs. The crystals of (I) and (II) are isomorphous with the core comprising R 1 (2)(5), R 1 (2)(4) and centrosymmetric R 4 (2)(8) ring motifs, giving two-dimensional layers lying parallel to (100). In (III), the water mol-ecule of solvation lies on a crystallographic twofold rotation axis and bridges two carboxyl O atoms in an R 4 (4)(12) hydrogen-bonded motif, creating two R 4 (3)(10) rings, which together with a conjoined centrosymmetric R 4 (2)(8) ring incorporating both ammonium cations, generate two-dimensional layers lying parallel to (100). No π-π ring associations are present in any of the structures.

The asymmetric unit of the title compound, [Co(C24H30N2P2)(CO)3][Co(CO)4]·0.25C7H8, consists of two crystallographically independent cations with similar conformations, two anions, and one-half of a toluene mol-ecule disordered about an inversion centre. In the cations, a Co/P/N/P four-membered slightly bent metallacycle is the key structural element. The pendant NH group is not coordinated to the Co(I) atom, which displays a distorted trigonal-bipyramidal coordination geometry. Weak inter-ionic hydrogen bonds are observed between the NH groups and a carbonyl group of the tetrahedral [Co(CO)4](-) anions.

The title compound, C22H22ClN3O5 {systematic name: 2-(propan-2-yl-idene-amino-oxy)ethyl (R)-2-[4-(6-chloro-quin-oxalin-2-yl-oxy)phen-oxy]propionate}, is a herbicide. The asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the phenyl ring and the quinoxaline ring plane are 75.93 (7) and 82.77 (8)°. The crystal structure features C-H⋯O, C-H⋯N, and C-H⋯Cl hydrogen bonds, as well as weak π-π inter-actions [ring-centroid separation = 3.782 (2) and 3.5952 (19) Å], resulting in a three-dimensional architecture.

In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thia-zole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chloro-phenyl rings. The two chloro-phenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C-H⋯Cl inter-actions extending in (100) and propagating along the a-axis direction and weak π-π inter-actions [centroid-centroid separation = 3.867 (2) Å].

The title compound, [Ni(C15H11N3)2][Au(CN)2]2, is an ionic compound composed of bis-(2,2':6',2''-terpyridine)-nickel(II) dications and dicyanidoaurate(I) anions in a 1:2 ratio. The two tridentate terpyridine ligands define the coordination of the Ni(2+) cation, resulting in a nearly octa-hedral coordination sphere, although there is not any imposed crystallographic symmetry about the Ni(2+) site. The two nearly linear dicyanidoaurate(I) anions [C-Au-C = 179.0 (2) and 178.2 (2)°] contain a short aurophilic inter-action of 3.1017 (3) Å. The structure does not demonstrate any π-π stacking. Non-classical C-H⋯N inter-actions between the cations and anions build up a three-dimensional network.

In the title compound, C18H17N3O3, the dihedral angle between the planes of the indazole ring system [maximum deviation = 0.012 (1) Å] and the pyran-2,4-dione ring is 54.03 (6)°. An intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. The same H atom also participates in an inter-molecular N-H⋯O hydrogen bond, which generates an inversion dimer. The dimers are linked by weak C-H⋯O contacts, thereby forming a three-dimensional network.

The title salt, [Pd(C3H4N2)4]Cl2, was obtained unexpectedly by the reaction of palladium(II) dichloride with equimolar amounts of 1-chloro-1-nitro-2,2,2-tris-(pyrazol-yl)ethane in methanol solution. The Pd(2+) cation is located on an inversion centre and has a square-planar coordination sphere defined by four N atoms of four neutral pyrazole ligands. The average Pd-N distance is 2.000 (2) Å. The two chloride anions are not coordinating to Pd(2+). They are connected to the complex cations through N-H⋯Cl hydrogen bonds. In addition, C-H⋯Cl hydrogen bonds are observed, leading to a three-dimensional linkage of cations and anions.

The mol-ecule of the title compound, C11H8N2, is approximately planar (r.m.s.deviation for all non-H atoms = 0.023 Å). The malono-nitrile C-C-C angle is 113.54 (13)°. In the crystal, mol-ecules stack head-to-tail along [010]. There are no significant inter-molecular inter-actions present.

The synthesis, crystal structure, and FT-IR data for the title compound, [Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO or Na2(O2CCH2Cl)2[12-MCMn(III) N(shi)-4](DMF)6·2DMF, where MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF mol-ecule or a chloro-acetate anion. The ring Mn(III) ions have either a tetra-gonally distorted octa-hedral geometry or a distorted square-pyramidal geometry. Weak C-H⋯O inter-actions, in addition to pure van der Waals forces, contribute to the overall packing of the mol-ecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5).