The crystal structures of a series of bis-(4-oxo- 3,4-dihydro-1,2,3-benzotriazin-3-yl)alkanes, compounds 5 to 9, have been determined by single crystal X-ray dif- fraction analysis. The structural parameters of the triazi- none rings in the five compounds do not display systematic differences with respect to those reported for a few anal- ogous compounds. The benzotriazinone rings in 5 and 9 are almost perpendicular to the alkylic chain. The molecules in the crystal packing are linked by means of a weak C–H...X H-bond (X = N/O). Compound 6 has two independent molecules in the asymmetric unit; one of the molecules displays disorder within the benzotriazinone moiety linked in position 1 to the propane alkylic group. The disordered molecule displays two conformations of the benzotriazi- none linked in position 1 to the propane bridge. Compound 8 also displays disorder within the benzotriazinone moiety linked in position 1 to the pentane alkylic spacer group. The molecules of compound 7, in the crystal packing, also form intra and inter-molecular C–H...X(X = N/O) hydrogen bonds. None of these compounds show any tendency to adopt a folded conformation with intramolec- ular p–p stacking between benzotriazinone units.

An X-Ray Crystallographic Study of Five Compounds from a Series of 1,x-bis-(4-Oxo-3,4-dihydro-1,2,3- benzotriazin-3-yl)alkanes

BERTOLASI, Valerio;
2011

Abstract

The crystal structures of a series of bis-(4-oxo- 3,4-dihydro-1,2,3-benzotriazin-3-yl)alkanes, compounds 5 to 9, have been determined by single crystal X-ray dif- fraction analysis. The structural parameters of the triazi- none rings in the five compounds do not display systematic differences with respect to those reported for a few anal- ogous compounds. The benzotriazinone rings in 5 and 9 are almost perpendicular to the alkylic chain. The molecules in the crystal packing are linked by means of a weak C–H...X H-bond (X = N/O). Compound 6 has two independent molecules in the asymmetric unit; one of the molecules displays disorder within the benzotriazinone moiety linked in position 1 to the propane alkylic group. The disordered molecule displays two conformations of the benzotriazi- none linked in position 1 to the propane bridge. Compound 8 also displays disorder within the benzotriazinone moiety linked in position 1 to the pentane alkylic spacer group. The molecules of compound 7, in the crystal packing, also form intra and inter-molecular C–H...X(X = N/O) hydrogen bonds. None of these compounds show any tendency to adopt a folded conformation with intramolec- ular p–p stacking between benzotriazinone units.
2011
Bertolasi, Valerio; N. J., Hunter; K., Vaughan
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/1461913
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