Markov Chain Monte Carlo (MCMC) Method for Studying Magnetic Behaviors in Trinuclear Cobalt(II) Compound.

A Co coordination polymer built from a mixed azide and zwitterionic pyridinium ions and its temperature-dependent magnetic properties are described. We used the Markov chain Monte Carlo (MCMC) method to fit the data, and found the following results: (1) there are strong correlations between the model parameters; (2) the data at above 28 K are well fitted by the magnetism model.

Antiviral and Cytotoxic Isocoumarin Derivatives from an Endophytic Fungus Aspergillus oryzae.

Oryzaeins A-D (1-4), four new isocoumarin derivatives, along with five known ones (5-9) were isolated from solid cultures of an endophytic fungus Aspergillus oryzae. Their structures were elucidated by detailed spectroscopic analysis and by comparison with reported data of related derivatives. Among them, compounds 1 and 2 represent the first examples of isocoumarins possessing an unusual 2-oxopropyl group and a rare 3-hydroxypropyl group.

Anti-TMV activity flavones from the leaves of Yunnan local air cured tobacco.

Four new flavones, tobaflavones E-H (1-4), together with two known flavones (5 and 6), were isolated from the leaves of Dali Tiandeng tobacco (a variety of Yunnan local air cured tobacco). Their structures were elucidated by spectroscopic methods, including extensive 1D- and 2D NMR techniques. Compound 2 is the first naturally occurring flavone bearing a (4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl moiety.

Diaqua-bis-(benzoato-κO)bis-[4,4,5,5-tetra-methyl-2-(pyridin-4-yl-κN)imidazoline-1-oxyl 3-oxide]cobalt(II).

The title compound, [Co(C(7)H(5)O(2))(2)(C(12)H(16)N(3)O(2))(2)(H(2)O)(2)], was obtained from a conventional solvent evaporation method. The complex mol-ecule is centrosymmetric, so pairs of equivalent ligands lie trans to each other in a slightly distorted octa-hedral CoN(2)O(4) geometry. The Co(II) ion is coordinated by the pyridine N atoms from NITpPy ligands [NITpPy is 4,4,5,5-tetra-methyl-2-(pyridin-4-yl)imidazoline-1-oxyl 3-oxide), water O atoms and two monodentate benzoate O atoms.

Bis(azido-κN)bis-[6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine-κ(2)N(1),N(6)]manganese(II).

In the title complex, [Mn(N(3))(2)(C(8)H(8)N(6))(2)], the complete molecule is generated by the application of twofold symmetry, and is in a distorted octa-hedral environment, coordinated by four N atoms of two bidentate 6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine ligands and two N atoms from two azide anions. The two chelated 6-(pyridin-2-yl)-1,3,5-triazine-2,4-diamine ligands form a dihedral angle 74.75 (5)°.

catena-Poly[[[bis-(μ-4-hydroxy-benzoato)bis-[(4-hydroxy-benzoato)manganese(II)]]-di-μ-4,4'-bipyridine] 4,4'-bipyridine disolvate tetra-hydrate].

In the polymeric title complex, {[Mn(O(2)CC(6)H(4)-p-OH)(2)(C(10)H(8)N(2))]·C(10)H(8)N(2)·2H(2)O}(n), the Mn(II) atom is coordinated in a distorted octa-hedral geometry defined by four O atoms from three different carboxyl-ate ligands and two trans-N atoms from two 4,4'-bipyridine ligands. In the crystal structure, an extensive range of O-H⋯O and O-H⋯N hydrogen bonds link the complex and all non-coordinated mol-ecules into a three-dimensional network.

4-(4-Chloro-phen-yl)-6-(methyl-sulfan-yl)pyrimidin-2-amine.

In the title compound, C(11)H(10)ClN(3)S, the dihedral angle between the benzene and pyrimidine rings is 3.99 (4)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into ribbons of R(2) (2)(8) rings parallel to [100].