Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1405864 | Journal of Molecular Structure | 2013 | 9 Pages |
Abstract
The solvent free synthesis of six 6-(3,5-difluorophenyl)-4,5-dihydropyridazin-3(2H)-one derivatives was carried out by microwave irradiation of a pulverized mixture of 4-(3,5-difluorophenyl)-4-oxobutanoic acid and substituted hydrazine hydrochloride in presence of catalytic amount of acetic acid at 150 °C/75 W for 5 min. Single crystals of two derivatives, C16H12N2OF2 [3a] and C16H11N2OF3 [3f] were formed allowing for structural analysis. [C16H12N2OF2]: orthorhombic, Pbcn; a = 17.1583(5) Ã
, b = 11.3751(3) Ã
, c = 13.7704(4) Ã
, V = 2687.67(13) Ã
3, Z = 8, 173(2) K, μ(Cu Kα) = 0.920 mmâ1, Dcalc = 1.415 g/mm3, 16553 reflections, 2651 unique (Rint = 0.0298); R1 = 0.0394 (I > 2Ï(I)) and wR2 = 0.1118 (all data). [C16H11N2OF3]: triclinic, P-1, a = 7.4837(4) Ã
, b = 13.3707(10) Ã
, c = 13.7194(9) Ã
, α = 76.622(6)°, β = 88.771(5)°, γ = 81.453(5)°, V = 1320.60(16) Ã
3, Z = 4, 173(2) K, μ(Cu Kα) = 1.087 mmâ1, Dcalc = 1.530 g/mm3, 8522 reflections, 5092 unique (Rint = 0.0277); R1 = 0.0441 (I > 2Ï(I)) and wR2 = 0.1289 (all data). Preliminary antibacterial properties and docking studies are described for all the six derivatives.
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Authors
H.B.V. Sowmya, T.H. Suresha Kumara, G. Nagendrappa, Jerry P. Jasinski, Sean P. Millikan, Gilish Jose, Dileep R, P.S. Sujan Ganapathy,