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Mol-ecular and crystal structure of gossypol tetra-methyl ether with an unknown solvate.

ABSTRACT: The title compound, C34H38O8 (systematic name: 5,5'-diisopropyl-2,2',3,3'-tetra-meth-oxy-7,7'-dimethyl-2H,2'H-8,8'-bi-[naphtho-[1,8-bc]furan]-4,4'-diol), has been obtained from a gossypol solution in a mixture of dimethyl sulfate and methanol. The mol-ecule is situated on a twofold rotation axis, so the asymmetric unit contains one half-mol-ecule. In the mol-ecule, the hy-droxy groups are involved in intra-molecular O-H?O hydrogen bonds, and the two naphthyl fragments are inclined each to other by 83.8?(1)°. In the crystal, weak C-H?O and C-H?? inter-actions consolidate the packing, which exhibits channels with an approximate diameter of 6?Å extending along the c-axis direction. These channels are filled with highly disordered solvent mol-ecules, so their estimated scattering contribution was subtracted from the observed diffraction data using the SQUEEZE option in PLATON [Spek, A. L. (2015). Acta Cryst. C71, 9-18].

SUBMITTER: Honkeldieva M

PROVIDER: S-EPMC4384568 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Fluorenonophane chloro-benzene solvate: mol-ecular and crystal structures.

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Project description:The asymmetric unit of the title compound, C21H16N4O4·4CH3OH, consists of a quarter mol-ecule of tetra-kis-(1-oxidopyridin-2-yl)methane and one methanol solvent mol-ecule. In the crystal, the pyridine N-oxide derivative is located about a fourfold rotoinversion axis and exhibits S 4 symmetry along the c axis. An inter-molecular O-H⋯O hydrogen bond is observed between the O atom of the pyridine N-oxide and the OH group of the methanol. An inter-molecular C-H⋯O bond is also observed between adjacent pyridine N-oxide rings.

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Crystal structure of an unknown tetra-hydro-furan solvate of tetra-kis-(μ 3-cyanato-κ(3) N:N:N)tetra-kis-[(triphenyl-phosphane-κP)-silver(I)].

Project description:In the title compound, [{[(C6H5)3P]Ag}4{NCO}4], a distorted Ag4N4-heterocubane core is set up by four Ag(I) ions being coordinated by the N atoms of the cyanato anions in a μ 3-bridging mode. In addition, a tri-phenyl-phosphine ligand is datively bonded to each of the Ag(I) ions. Intra-molecular Ag⋯Ag distances as short as 3.133 (9) Å suggest the presence of argentophilic (d (10)⋯d (10)) inter-actions. Five moderate-to-weak C-H⋯O hydrogen-bonding inter-actions are observed in the crystal structure, spanning a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18] following unsuccessful attempts to model it as being part of disordered tetra-hydro-furan solvent mol-ecules. The given chemical formula and other crystal data do not take into account these solvent mol-ecules.

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Crystal and mol-ecular structures of di-chlorido-palladium(II) containing 2-methyl- or 2-phenyl-8-(diphenyphosphan-yl)quinoline.

Project description:The crystal structures of di-chlorido-palladium(II) complexes bearing 2-methyl- and 2-phenyl-8-(di-phenyl-phosphan-yl)quinoline, namely, di-chlorido-[8-(di-phenyl-phosphan-yl)-2-methyl-quinoline-κ2 N,P]palladium(II), [PdCl2(C22H18NP)] (1) and di-chlorido-[8-(di-phenyl-phosphan-yl)-2-phenyl-quinoline-κ2 N,P]palladium(II), [PdCl2(C27H20NP)] (2), were analyzed and compared to that of the 8-(di-phenyl-phosphan-yl)quinoline (PQH) analogue (3). In all three complexes, the phosphanyl-quinoline moiety acts as a bidentate P,N-donating chelate ligand. In the PQH complex (3), the PdII center has a typical planar coordination environment; however, both the methyl- and phenyl-substituted phosphanyl-quinoline (PQMe and PQPh, respectively) complexes (1) and (2) exhibit a considerable tetra-hedral distortion around the PdII center, as parameterized by the τ4 values of 0.1555 (4) and 0.1438 (4) for (1) and (2), respectively. The steric inter-action from the substituted group introduced at the 2-position of the quinoline ring enforces the cis-positioned Cl ligand to be displaced from the ideal coordination plane. Also, the ideally planar phosphanyl-quinoline five-membered chelate ring shows a large bending deformation by the displacement of the PdII center from the quinoline plane. In addition, in the phenyl-substituted complex (3), the coordinating quinolyl and the substituted phenyl rings are not co-planar to each other, having a dihedral angle of 33.08 (7)°. This twist conformation prohibits any inter-molecular π-π stacking inter-action between the quinoline planes, which is observed in the crystals of complexes (1) and (2).

| S-EPMC7784056 | biostudies-literature

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