Add time:07/11/2019         Source:sciencedirect.com

The structures of 5-(4-chlorophenyl)-1-{4-(methylsulfonyl)phenyl}-1H-tetrazole (3) and 4-{5-(4-methoxyphenyl)-1H-tetrazol-1-yl}benzenesulfonamide (5) have been determined by X-ray crystallography. Tetrazoles 3 and 5 crystallize in the monoclinic space groups Ia and P21/c, respectively. The cell dimensions of azole 3 are a = 11.0413 (5) Å, b = 11.8428 (5) Å, c = 12.2483 (5) Å3, β = 111.7129 (4)°, V = 1487.95 (11) Å3, and Z = 4. Its structure was refined to R1 = 0.0254 (for 3429 observed reflections [I ≥ 2σ(I)]) and wR2 = 0.0651 (for all 3300 unique reflections). The cell dimensions of azole 5 are a = 17.112 (3) Å, b = 6.5904 (10) Å, c = 12.935 (2) Å3, β = 93.1981 (19)°, V = 1456.5 (4) Å3, and Z = 4. Its structure was refined to R1 = 0.0336 (for 3010 observed reflections [I ≥ 2σ(I)]) and wR2 = 0.0875 (for all 2463 unique reflections). The tetrazole rings are essentially planar, while the aryl rings at the 1- and 5-positions of each compound show no conjugation to the tetrazole groups. Compound 5 exhibits a network of intermolecular hydrogen bonds generated by interactions between adjacent sulfonamide groups. The molecular docking studies were carried out to understand the orientation and the interaction of each molecule inside the active site of the cyclooxygenase-2 enzyme, followed by comparison with the bioassay studies as COX-2 inhibitors.

We also recommend Trading Suppliers and Manufacturers of 4-CHLOROPHENYL 1-[1-(METHYLSULFONYL)-1H-PYRAZOL-5-YL]ETHYL ETHER (cas 321998-04-3). Pls Click Website Link as below: cas 321998-04-3 suppliers