Structural features of 7-methoxy-5-methy1-2-(pyridin-3-y1)-11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazocine: Experimental and theoretical (HF and DFT) studies, surface properties (MEP, Hirshfeld)

he molecular structure of7-methoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano[1,2,4]tri-azolo[1,5-c][1,3,5]benzoxadiazocine that formulated as (C18H17N5O2) was determined by single-crystal X-ray diffraction and FT-IR spectroscopy. The crystal structure is triclinic, space group P-1 with parametersa¼10.0175(7) Å, b¼9.9702(6) Å, c¼17.5941(10) Å,a¼96.546(5) ,b¼106.069(5) ,g¼97.178(5) ,V¼1654.87(19) Å3,Z¼4. Theoretical calculations have been carried out by using Hartree-Fock (HF) andDensity Functional Theory (DFT) methods. The vibrational frequencies were calculated by using HF/6-31G(d,p) and DFT/B3LYP/6-31G(d,p) basis sets in ground state. The calculated structural parameters(bond lengths, bond angles, torsion angles) and vibrational assignments were compared with theirexperimental data. Molecular Electrostatic Potential (MEP) map of the compound was obtained by usingthe optimized structures. Furthermore, the frontier molecular orbitals have been created for the com-pound. Crystal Explorer program was used to determine remarkable interactions in the crystal.University Research Fund :F.27

Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yI)-11,12-di hydro5,11-methano[1,2,4]triazolo[1,5-c][1,3,5-Thenzoxadiazocine

The title compound, Ci(9)H(19)N(5)O(2), was prepared by the reaction of 3-amino-5(pyridin-3-yl)-1,2,4-triazole with acetone and 2-hydroxy-3-ethoxybenzaldehyde. It crystallizes from ethanol in a tetragonal space group, with one molecule in the asymmetric unit. The 1,2,4-triazole five-membered ring is planar (maximum deviation = 0.0028 angstrom). The pyridine and phenyl rings are also planar with maximum deviations of 0.0091 and 0.0094 angstrom, respectively. In the crystal, N-H center dot center dot center dot N hydrogen bonds link the molecules into supramolecular chains propagating along the c-axis direction. Hirshfeld surface analysis and twodimensional fingerprint plots have been used to analyse the intermolecular interactions present in the crystal

Generation of 500-Member Library of 10-Alkyl-2-R1,3-R2-4,10-Dihydrobenzo[4,5]imidazo[1,2-α]pyrimidin-4-ones

Representative benzimidazopyrimidinones were previously reported to be intercalating antitumor agents. In this work, we used 2-substituted 4,10-dihydrobenzo [4,5]imidazo[1,2-α]pyriminin-4-ones for their diversification by regioselective alkylation. Under the conditions established, the alkylation gave 10-alkyl derivatives which permitted the parallel generation of a 500-member library of the title compounds

Two-channel antenna of the scanning radiometer of 20-centimeter range

A flat antenna was developed in the form of a nonequidistant array of horns located on a disk 4.5 wavelengths in diameter. The main maximum of the directivity diagram is oriented at the angle of 45° to the array. The antenna operates on two orthogonal (vertical and horizontal) linear polarizations and is designed for the use in the scanning aerospace two-channel radiometer of the decimeter wavelength range

5-(5-Bromo-2-hydroxy-3-methoxyphenyl)-7-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

The title compound was synthesized by multicomponent condensation of 3-amino-1,2,4-triazole, acetone and 5-bromo-2-hydroxy-3-methoxybenzaldehyde. The structure was established by 1H-NMR, 13C-NMR, IR spectroscopy and LC-MS

Rapid formation of chemical complexity via a modified Biginelli reaction leading to dihydrofuran-2(3H)-one spiro-derivatives of triazolo[1,5-a]pyrimidine

The work was supported by Artvin Coruh University research project (BAP-2012.F19.02.23) and Mevlana Exchange Program (MEV-2016-027).The regio- and stereoselective, catalyst-free multicomponent synthesis of spiro-conjugated dihydrofuran-2(3H)-one/triazolo[1,5-a]pyrimidine derivatives in good to high yields via a Biginelli approach starting from ortho-substituted benzaldehydes, 3-amino-1.2,4-triazole and alpha-acetylbutyrolactone is reported. A plausible reaction mechanism for this transformation is discussed. The obtained heterocycles possess a drug-like conformationally restricted structure with defined stereochemistry and increased stability compared to other products obtained by this mode of the Biginelli reaction

A modified Biginelli reaction toward oxygen-bridged tetrahydropyrimidines fused with substituted 1,2,4-triazole ring

A microwave-assisted Biginelli-like three-component condensation using salicylic aldehyde derivatives, acetone, and 5-substituted 3-amino-1,2,4-triazoles instead of the urea component results in the formation of oxygen-bridged tetrahydrotriazolopyrimidine derivatives (11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazocines) in good yields and high purity. A plausible reaction mechanism for this transformation is discussed in details using literature and experimental data.Artvin Coruh University. BAP-2012.F19.02.24 Council of Higher Education of Turkey, Mevlana Exchange Program: MEV-2016-02

The multi-band reflector antenna of the double-polarization scanning radio aerospace radiometer

The paper describes a 13-channel reflector antenna operating in six subbands of wavelengths from 3 mm to 4.5 cm in two orthogonal linear polarizations for the scanning aerospace radiometer