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C19H17BrO3, triclinic, P 1‾ $\overline{1}$ (no. 2), a = 8.2887(7) Å, b = 8.4190(12) Å, c = 13.1164(15) Å, α = 93.634(11)°, β = 90.609(9)°, γ = 118.201(11)°, V = 804.17(18) Å3, Z = 2, R gt(F) = 0.0738, wR ref(F 2) = 0.1614, T = 150 K.

C18H15BrO2, monoclinic, P21/n (no. 14), a = 9.1704(9) Å, b = 16.5309(13) Å, c = 10.3528(12) Å, β = 112.368(12)°, V = 1451.3(3) Å3, Z = 4, R gt(F) = 0.0405, wR ref(F 2) = 0.0677, T = 149.99(10) K.

C26H18F2N2O3S, monoclinic, P21/c (no. 14), a = 8.412(3) Å, b = 22.056(8) Å, c = 12.125(4) Å, β = 102.316(5)°, V = 2198.0(14) Å3, Z = 4, Rgt(F) = 0.0475, wRref(F2) = 0.1156, T = 173(2) K.

In the title compound, [Cu(SO4)(C15H11N5)(H2O)]·CH3OH·2H2O, the CuII ion is in a distorted square-pyramidal geometry, in which three N atoms from the chelating 1-(1,10-phenanthrolin-2-yl)-1H-pyrazol-3-amine ligand and one O atom from a sulfate anion define the basal plane and the O atom from the coordinating water molecule is located at the apex. In the crystal, hydrogen-bonding interactions involving the coordinating and solvent water molecules, the methanol solvent molecule and the amine group (one with an intramolecular interaction to one of the sulfate O atoms) of the complex are observed. π–π interactions between symmetry-related phenantroline moieties, with a shortest centroid–centroid interaction of 3.573 (2)°, are also present.

In order to overcome the shortcoming of curcumin derivatives, a set of curcumin analogues were designed and synthesized in recent years. The pure product of the title compound was separated by 200-300 mesh silica gel column (petroleum ether/ethyl acetate/methanol = 10:10:1, v/v/v). Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. [Extracted from the article]

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. Additionally, the bromine atom will be able to enhance cell permeability and metabolic stability of the title compound. 5 Zhang, Z., Sangaiah, R., Gold, A., Ball, L. M. Synthesis of uniformly 13C-labeled polycyclic aromatic hydrocarbons. [Extracted from the article]

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. Additionally, the bromine atom will be able to enhance cell permeability and metabolic stability of the title compound. 5 Zhang, Z., Sangaiah, R., Gold, A., Ball, L. M. Synthesis of uniformly 13C-labeled polycyclic aromatic hydrocarbons. [Extracted from the article]

In order to overcome the shortcoming of curcumin derivatives, a set of curcumin analogues were designed and synthesized in recent years. The pure product of the title compound was separated by 200-300 mesh silica gel column (petroleum ether/ethyl acetate/methanol = 10:10:1, v/v/v). Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. [Extracted from the article]

C26H18F2N2O3S, monoclinic, P21/c (no. 14), a = 8.412(3) Å, b = 22.056(8) Å, c = 12.125(4) Å, β = 102.316(5)°, V = 2198.0(14) Å3, Z = 4, Rgt(F) = 0.0475, wRref(F2) = 0.1156, T = 173(2) K. [ABSTRACT FROM AUTHOR]

A 2-D CuICuIImixed oxidation state coordination polymer, [CuIICuI(μ1,3-SCN)2(μ1,1,3-SCN)(PhenE)]n(PhenE: 2-ethoxy-1,10-phenanthroline), has been prepared and its crystal structure determined by X-ray crystallography. In the polymer, CuIIis a distorted trigonal bipyramidal geometry and CuIhas distorted tetrahedral coordination. Thiocyanate bridges in two modes,μ1,3-SCN andμ1,1,3-SCN, resulting in a 2-D coordination sheet. The crystal structure analysis shows that there is a splippedπ–πstacking in the sheet. The fitting for the variable-temperature magnetic susceptibility data gave the magnetic coupling constant 2J = −2.72 cm−1andzJ′ = −2.07 cm−1. The magnetic interaction may be mainly ascribed to intermolecularπ–πmagnetic coupling. [ABSTRACT FROM AUTHOR]

A new mononuclear complex, [Ni(dpphen)(NCS)2] [dpphen = 2,9-di(1H-pyrazol-1-yl)-1,10-phenanthroline], has been prepared and its crystal structure is determined by X-ray crystallography. In the NiII complex, NiII is a distorted octahedral geometry. The crystal structure analysis shows that there exist π−stacking interactions and an intermolecular interaction among adjacent complexes. The fitting to the variable-temperature magnetic susceptibility data gave the magnetic coupling constant J = −1.37 cm−1 (Ĥ = -JŜ1 ⋅ Ŝ2). Theoretical calculations reveal that the π-stacking magnetic coupling pathway resulted in an antiferromagnetic interaction with 2 J = −0.22 cm−1 (Ĥ = -2JŜ1 ⋅ Ŝ2), whereas the magnetic coupling pathway of the intermolecular interaction led to a ferromagnetic interaction with 2 J = 0.10 cm−1 (Ĥ = -JŜ1 ⋅ Ŝ2). The calculations also display that there occur both spin delocalization and spin polarization in the π-stacking magnetic coupling system and the magnetic coupling system of the intermolecular interaction. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title compound, [Zn(NCS)(C(12)H(7)ClN(2))(2)][Zn(NCS)(3)(C(12)H(7)ClN(2))], contains two cations and two anions. In the cations, the Zn(II) ions have distorted trigonal-bipyramidal environments formed by four N atoms from two 2-chloro-1,10-phenanthroline (cphen) ligands and one N atom from a thio-cyanate ligand. The Zn(II) atoms in the complex anions also have distorted trigonal-bipyramidal environments, formed by two N atoms from a cphen ligand and three N atoms from three thio-cyanato ligands. The crystal packing exhibits π-π inter-actions between the rings of the cphen ligands [shortest centroid-centroid distance = 3.586 (5) Å] and short inter-molecular S⋯Cl [3.395 (5) Å] and S⋯S [3.440 (4) Å] contacts.