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The benzimidazole moiety in the title molecule, C19H25N5O, is almost planar and oriented nearly perpendicular to the triazole ring. In the crystal, C—H...O hydrogen bonds link the molecules into a network structure. There are noμ-μinteractions present but two weak C—H...π(ring) interactions are observed. A Hirshfield surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (62.0%), H...C/ C...H (16.1%), H...N/N...H (13.7%) and H...O/O...H (7.5%) interactions. Evaluation of the electrostatic, dispersion and total energy frameworks indicate that the stabilization is dominated via the dispersion energy contributions in the title compound. [ABSTRACT FROM AUTHOR]

In present work, two heterocyclic compounds namely 7-amino-2-(p-tolyl)-2H-thiazolo[3,2-a]pyrimidine-3,5-dione (ATTP) and 7-amino-2-(4-chlorophenyl)-2H-thiazolo [3,2-a]pyrimidine-3,5-dione (ACTP) were investigated for their inhibitory efficiencies against the corrosion of mild steel in HCl 1.0 M medium. Furthermore, the adsorption isotherm of these inhibitors was also studied, the results showing that the adsorption of inhibitors ATTP and ACTP on the surface of mild steel obey Langmuir isotherm. The negative values of ΔGads ° indicate the spontaneity of the adsorption process for both inhibitors. The calculated value of ΔGads ° indicates that the adsorption of ATTP on the surface of mild steel is mixed interaction (chemisorption and physisorption), while the calculated value of ΔGads ° of ACTP suggest the chemisorption adsorption. As well the Density Functional Theory (DFT) was used to study the relationship between the structure of the studied thiazolopyrimidines and their inhibitory efficiencies. The theoretical parameters obtained from DFT are in good agreement with the experimental results. [ABSTRACT FROM AUTHOR]

The inhibiting power of two compounds of thiazolopyrimidine namely 7-amino-2-(p-tolyl)-2H-thiazolo[3,2-a] pyrimidine-3,5-dione (ATTP) and 7-amino-2-(4-chlorophenyl)-2H-thiazolo[3,2-a]pyrimidine-3,5-dione (ACTP) has been studied using electrochemical methods (potentiodynamic polarization and electrochemical impedance (EIS). It is observed that the inhibition efficiency increases with the increasing of the concentration for both studied inhibitors. Also, the maximum efficiency was obtained at 10-3M concentration. Potentiodynamic study indicates that ATTP acted as a mixed type with predominant cathodic, while ACTP acted as a cathodic inhibitor. The effect of the temperature was also studied in the temperature range 298 to 338 K. The results show that the inhibitory efficiency E (%) of ATTP and ACTP increases with the increasing of the temperature from 298 K to 318 K, then it decreases for a temperature higher than 318 K. [ABSTRACT FROM AUTHOR]

An easy synthetic protocol for the synthesis of biologically active benzimidazole, benzothiazole and benzoxazole derivatives has been demonstrated using a hybrid crystal NH3(CH2)4NH3SiF6as a mild and efficient heterogeneous catalyst. Short reaction times, solvent-free conditions, good to excellent yields, easy reusability and use of an eco-friendly catalyst are some of the significant attributes of the present method. [ABSTRACT FROM AUTHOR]