Crystal structure of the phenothiazine–trinitrobenzene charge-transfer complex

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Abstract
Crystals of the 1 : 1 charge-transfer complex between phenothiazine and trinitrobenzene are orthorhombic, space group Pbcn, with a= 7·010 ± 0·01, b= 15·14 ± 0·02, c= 17·15 ± 0·02 Å, and Z= 4. Packing within the crystal is typical of 1 : 1 donor–acceptor complexes; phenothiazine and trinitrobenzene molecules alternate in a stack parallel to a with a separation of 3·37 Å. Each molecule is required by the space group symmetry to lie on a two-fold axis, but the phenothiazine molecules seem to be disordered. Thermal-ellipsoid data can be interpreted in terms of either a dynamic or a static disorder of the phenothiazine molecules requiring in either case a molecule folded along the N–S axis, with an average dihedral angle of about 165–172°. The dynamic interpretation is favoured.

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