The title compound, C(30)H(20)N(2)O(4), exhibits a nematic phase in the wide temperature range between 498.5 and 538.6 K, in spite of the short linker moiety. Two crystal forms have been found. In both forms, the molecule is centrosymmetric. Form I has a planar biphenyl group, while form II has a twisted biphenyl group with a twist angle of 34.75 (6) degrees . The packing modes are also different. In form I the long molecular axes are tilted with respect to each other at about 30 degrees , while in form II the long molecular axes have an almost parallel arrangement.
In our research interest on titanium oxyphosphates, several compounds M II 0.5 TiO(PO 4) have been prepared with M II = Mg , Fe , Co , Ni , Cu , Zn. They all belong to the monoclinic P2 1 /c structural type determined "ab initio" for Ni 0.5 TiO(PO 4) from X-ray powder diffraction[1].Thermostructural study of Cu 0.5 TiO(PO 4) shows a phase transition (800°C during heating, 400°C during cooling). Single crystals of the phase have been obtained. Its cell presents a Jahn Teller deformation with Cu-O elongation in the (a,c) plane: a=7.5612(4) ; b=7.0919(4) ; c=7.4874(4)Å ; =122.25(6)° ; V=339.55(6)Å 3. The single crystal structure confirms and states more precisely the previous powder model (R 1 =0.023; wR 2 = 0.063). The phase has been obtained stabilised at room temperature in a powder mixture (38%)+ (62%) without impurities. X-ray diffraction pattern of this powder can be indexed in a like-type P2 1 /c monoclinic cell : a=7.1081(10) ; b=7.7384(12) ; c=7.3013(10) Å ; =119.28(1)° ; V=350.3(1)Å 3. As the-structure is not a good starting model for Rietveld refinement (divergence), an "ab-initio" structure determination has been done. The refined structure corresponds to a "rocking" of the Jahn Teller elongation from the (a,c) plane to the b direction.
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