3,5-Bis(4-chloro­benzyl­idene)-1-methyl­piperidin-4-one

In the title mol­ecule, C20H17Cl2NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak inter­molecular C—H⋯O hydrogen bonds link mol­ecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak inter­molecular C—H⋯π inter­actions involving the benzene rings

1-Benzyl-3,5-bis­(4-chloro­benzyl­idene)piperidin-4-one

The title compound, C26H21Cl2NO, crystallizes with two symmetry-independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in mol­ecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in mol­ecule A, and 26.4 (1) and 19.6 (1)° in mol­ecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in mol­ecules A and B, respectively. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the two independent mol­ecules into dimers

[5,10,15,20-Tetra­kis(4-tol­yl)porphyrin]zinc(II) dichloro­methane solvate

In the title complex, [Zn(C48H36N4)]·CH2Cl2, the ZnII atom lies on an inversion center and the dichloro­methane solvent mol­ecule is disordered around an inversion center. The tolyl substituents are twisted compared to the central aromatic ring system of the porphyrin, similar to what is seen in previously published structures of this molecule [Dastidar & Goldberg (1996 ▶). Acta Cryst. C52, 1976–1980]. The dihedral angles between the mean planes of the tolyl rings and the central ring are 66.98 (6) and 60.40 (6)°

Magnetic Ordering in a Vanadium-Organic Coordination Polymer Using a Pyrrolo[2,3-\u3cem\u3ed\u3c/em\u3e:5,4-\u3cem\u3ed\u27\u3c/em\u3e]bis(thiazole)-Based Ligand

Here we present the synthesis and characterization of a hybrid vanadium-organic coordination polymer with robust magnetic order, a Curie temperature TC of ∼110 K, a coercive field of ∼5 Oe at 5 K, and a maximum mass magnetization of about half that of the benchmark ferrimagnetic vanadium(tetracyanoethylene)~2 (V·(TCNE)~2). This material was prepared using a new tetracyano-substituted quinoidal organic small molecule 7 based on a tricyclic heterocycle 4-hexyl-4H-pyrrolo[2,3-d:5,4-d′]bis(thiazole) (C6-PBTz). Single crystal X-ray diffraction of the 2,6-diiodo derivative of the parent C6-PBTz, showed a disordered hexyl chain and a nearly linear arrangement of the substituents in positions 2 and 6 of the tricyclic core. Density functional theory (DFT) calculations indicate that C6-PBTz-based ligand 7 is a strong acceptor with an electron affinity larger than that of TCNE and several other ligands previously used in molecular magnets. This effect is due in part to the electron-deficient thiazole rings and extended delocalization of the frontier molecular orbitals. The ligand detailed in this study, a representative example of fused heterocycle aromatic cores with extended π conjugation, introduces new opportunities for structure–magnetic-property correlation studies where the chemistry of the tricyclic heterocycles can modulate the electronic properties and the substituent at the central N-position can vary the spatial characteristics of the magnetic polymer

High Rectification Ratio at Room Temperature in Rhenium(I) Compound

Electrical current rectification is an interesting electronic feature, popularly known as a diode. Achieving a high rectification ratio in a molecular junction has been a long-standing goal in molecular electronics. The present work describes mimicking electrical current rectification with pi-stacked rhenium(I) compound sandwiched between two electrical contacts. Among the two mononuclear rhenium compounds studied here, [Re(CO)4(PPh3){(N)-saccharinate}] (1) and [Re(CO)3(phen){(N)-saccharinate}] (2), the latter show strong pi-pi interactions-induced high rectification ratio of ~ 4000 at 2.0 V at room temperature. Alternating current (AC)-based electrical measurements ensuring AC to DC electrical signal conversion at a frequency f of 1 KHz showing 2 can act as an excellent half-wave rectifier. Asymmetric charge injection barrier height at the electrode/Re(I) interfaces of the devices with a stacking configuration of p++-Si/Re compound31nm(2)/ITO originates the flow of electrical current unidirectionally. The charge transport mechanism governed by thermally activated hopping phenomena, and charge carrier propagation is explained through an energy profile considering the Fermi levels of two electrodes, and the energy of frontier molecular orbitals, HOMO, and LUMO, confirming rectification is of a molecular origin. The present work paves the way to combine different organometallic compounds as circuit elements in nanoelectronic devices to achieve numerous exciting electronic features.Comment: 16 pages, 5 figure

Chlorido(4,4′,4′′-tri-tert-butyl-2,2′:6′,2′′-terpyridine)­platinum(II) chloride toluene monosolvate

In the title compound, [PtCl(C27H35N3)]Cl·C7H8, the PtII atom is coordinated in a pseudo-square-planar fashion by the N atoms of a 4,4′,4′′-tri-tert-butyl-2,2′:6′,2′′-terpyridine (tbtrpy) ligand and a Cl atom. The Pt—N distance of the N atom on the central pyridine is 1.941 (4) Å, while the peripheral N atoms have Pt—N distances of 2.015 (4) and 2.013 (4) Å. The Pt—Cl bond distance is 2.3070 (10) Å. The cations pack as dimers in a head-to-tail orientation with an inter­molecular Pt⋯Pt distance of 3.2774 (3) Å and Pt⋯N distances of 3.599 (4), 3.791 (4) and 4.115 (4) Å. The solvent mol­ecule is disordered and occupies two positions with a ratio of 0.553 (6):0.447 (6)

Chlorido(4,4′,4′′-tri-tert-butyl-2,2′:6′,2′′-terpyridine)­platinum(II) tetra­fluorido­borate

In the title compound, [PtCl(C27H35N3)]BF4, the PtII atom is in a pseudo-square-planar coordination, which is typical of Pt–terpyridine complexes. The Pt—Cl bond distance is 2.2998 (7) Å. The Pt—N distance of the N atom on the central pyridine is 1.931 (2) Å, while the peripheral N atoms have Pt—N distances of 2.018 (2) and 2.022 (2) Å. The cations pack as dimers in a head-to-tail orientation with an inter­molecular Pt⋯Pt distance of 3.5214 (2) Å and Pt⋯N distances of 3.527 (2), 3.873 (2) and 4.532 (2) Å. In the crystal, cations and anions are linked by weak C—H⋯F hydrogen-bonding inter­actions

5-Cyano-1,3-phenylene diacetate

In the title molecule, C11H9NO4, the two acetoxy groups are twisted from the plane of the benzene ring by 67.89 (4) and 53.30 (5)°. Both carbonyl groups are on the same side of the aromatic ring. In the crystal, weak C—H...O hydrogen bonds link molecules into layers parallel to the ac plane. The crystal packing exhibits π–π interactions between the aromatic rings, indicated by a short intercentroid distance of 3.767 (3) Å

The leading role of West Siberian Research and Geological Oil Exploration Institute in the development of the oil and gas potential of the West Siberian oil and gas province and the development of the country’s mineral resource base

The history of creation is given, the complex of studies carried out by the Tyumen branch of Siberian Research Institute of Geology, Geophysics and Mineral Resources (SNIIGGiMS) in 1960–1964 and by West Siberian Research and Geological Prospecting Oil Institute (ZapSibNIGNI) in 1964–1996 is analyzed. The role of the Institute in the substantiation of oil and gas potential and developing the resource base of the West Siberian oil and gas province is shown. The scientific forecasts and developments of the Institute’s employees, which influenced the increase in the efficiency of geological exploration are presented. In preparing the article, previously unpublished documents from the archive of the Directorate of ZapSibNIGNI were used