Acta Cryst. (2005). E61, o3559-o3561  [ doi:10.1107/S160053680503117X ]

4,6-Dimethyl-2-[4-(4-nitrophenyl)piperazin-1-ylmethyl]isothiazolo[5,4-b]pyridin-3(2H)-one

Z. Karczmarzyk and W. Malinka

Abstract: In the structure of the title compound, C₁₉H₂₁N₅O₃S, the piperazine ring adopts a slightly deformed chair conformation, with puckering parameters Q = 0.534 (2) Å and = 22.2 (2)° and an almost flat configuration of the piperazine N atom bonded to the benzene ring. This deformation is caused by the strong conjugation effect of the lone pair of the N atom with the -electron system of the benzene ring in the arylpiperazine part of the molecule. The molecular packing is influenced by weak - interactions of the isothiazolopyridine systems, with a shortest centroid-to-centroid separation of 3.5113 (14) Å between pyridine rings.

Online 8 October 2005

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