Study of some Bioactive Synthetic Heterocycles

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Synthesis and crystal structure of a novel substituted 1,4-dihydropyridine

The title compound, C15H16N2O3, was synthesized, characterized spectroscopically, and finally confirmed by X-ray diffraction studies. The compound crystallizes in the monoclinic space group P21/n with cell parameters a = 10.314(9) Å, b = 17.976(15) Å, c = 12.762(11) Å, β = 113.331(3)°, Z = 4, and V = 2173(3) Å3. The dihydropyridine ring in the structure is in a flattened-boat conformation. The 2-nitrophenyl ring is orthogonal to the 1,4-dihydropyridine ring. The structure exhibits an intermolecular hydrogen bond of the type C–H…O

Synthesis, anti-tubercular activity and 3D-QSAR study of coumarin-4-acetic acid benzylidene hydrazides

A set of 25 coumarin-4-acetic acid benzylidene hydrazides were synthesized and characterized by NMR, IR and mass spectroscopic techniques. The compounds were evaluated for their anti-tubercular activity against Mycobacterium tuberculosis H37Rv strain using the BACTEC 460 system to determine percentage inhibition. To understand the relationship between structure and activity, a 3D-QSAR analysis has been carried out by Comparative Molecular Field Analysis (CoMFA). Several statistically significant CoMFA models were generated. The CoMFA model generated with database alignment was the best in terms of overall statistics. The CoMFA contours provide a good insight into the structure activity relationships of the compounds reported herein. 2008 Elsevier Masson SAS. All rights reserved