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

The crystal structure of the title compound {systematic name: octa-μ3-hydroxido-μ6-oxido-hexa-kis-[tetra-aqua-yttrium(III)] octa-iodide octa-hydrate}, is characterized by the presence of the centrosymmetric mol-ecular entity [Y6(μ6-O)(μ3-OH)8(H2O)24](8+), in which the six Y(3+) cations are arranged octa-hedrally around a μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octa-hedron is capped by an μ3-OH group in the form of a distorted cube. In the hexa-nuclear entity, the Y(3+) cations are coordinated by the central μ6-O atom, the O atoms of four μ3-OH and of four water mol-ecules. The resulting coordination sphere of the metal ions is a capped square-anti-prism. The crystal packing is quite similar to that of the ortho-rhom-bic [Ln 6(μ6-O)(μ3-OH)8(H2O)24]I8·8H2O structures with Ln = La-Nd, Eu-Tb, Dy, except that the title compound exhibits a slight monoclinic distortion. The proximity of the cationic complexes and the lattice water mol-ecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.

The title compound, C26H21O3P, was obtained as by-product due to the hydrolysis of the desired tosyl-ated compound. The dihedral angles between the three aromatic rings attached to the P atom lie in the range 78.1 (1)-87.6 (1)°. The hy-droxy-methyl group is disordered between two conformations in a 0.719 (9):0.281 (9) ratio. The hy-droxy H atom is not involved in inter-molecular inter-actions, while the hy-droxy O atom serves as a donor for weak C-H⋯O hydrogen bonds, which link the mol-ecules into chains propagating in [0-11].

The title mol-ecular salt, C13H15N2 (+)·Br(-), crystallized with two independent ion pairs (A and B) in the asymmetric unit. In the cations, the planes of the pyridine and benzene rings are inclined to one another by 79.32 (8) and 82.30 (10)° in ion pairs A and B, respectively. In the crystal, the anions and cations are connected by N-H⋯Br hydrogen bonds, forming a centrosymmetric tetra-mer-like unit enclosing an R 8 (4)(16) ring motif. These units are linked via C-H⋯Br hydrogen bonds, forming a three-dimensional network.

In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°. In the crystal, mol-ecules are paired into inversion dimers via π-π inter-actions. Weak inter-molecular C-H⋯π inter-actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.

In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°]. In the crystal, the only directional inter-actions are very weak C-H ⋯π inter-actions involving both the pyrazole and benzene rings, leading to the formation of a three-dimensional network.

In the title compound, C20H17NO3, the methyl-idene-cyclo-hexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1.69 (9)° to the phenyl and hy-droxy-benzene rings, respectively. The amino group links with the carbonyl O atom via an intra-molecular N-H⋯O hydrogen bond, forming an S(6) ring motif. In the crystal, the mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional supra-molecular architecture.

In the title carbazole derivative, C32H32N2, the mol-ecule resides on a crystallographic twofold axis, which runs through the central C-C bond. The carbazole ring system is almost planar, with a maximum deviation of 0.041 (1) Å for one of the ring-junction C atoms. The crystal packing is stabilized by C-H⋯π inter-actions only, which form a C(7) chain-like arrangement along [110] in the unit cell.

The title compound, C20H42O3S2Si, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo-tetrads with a 1,3-di-thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di-thiane ring adopts a chair conformation, while the rest of each mol-ecule displays a common zigzag conformation. There is an intra-molecular O-H⋯O hydrogen bond in each mol-ecule. In the crystal, the A and B mol-ecules are linked via O-H⋯O hydrogen bonds, forming -A-B-A--B-- chains along [010]. The absolute structure was determined by resonant scattering (anomalous scattering) [Flack parameter = 0.035 (8)].

In the title compound, C24H22Br2N2S, the dihedral angles between the central pyrimidine ring and the pendant bromo-benzene rings are 11.02 (11) and 13.20 (12)°. The butyl side chain adopts a gauche conformation [C-C-C-C = -67.4 (4)°]. In the crystal, weak aromatic π-π stacking is observed between the pyrimidine ring and one of the benzene rings [centroid-centroid separation = 3.6718 (17) Å].

The mol-ecule of the title compound, C40H42Ge4, lies with its central Ge-Ge bond on an inversion centre giving rise to a zigzag backbone of four tetra-hedrally coordinated Ge atoms. The symmetrically independent Ge-Ge bonds are slightly shorter than in other organo-tetra-germanes whereas the Ge-CPh (Ph = phen-yl) and Ge-CMe (Me = meth-yl) distances have their usual values. In the crystal, (010) layers of Ph6Me4Ge4 mol-ecules with a parallel orientation of the Ge4 backbone exist, held together by van der Waals forces only. Main bond lengths in organo-substituted oligogermanes are compared.