Source of materialAll chemicals used for the preparation of the title compound were of reagent grade quality.
Experimental detailsHatoms bonded to Natoms were located in aFourier difference map and refined isotropically without restraints. Hatoms bonded to Catoms were positioned geometrically and allowed to ride on their parent atoms, with d(C-H) =0 .93 Å;a nd U iso (H) =1 .2 U eq(C).
DiscussionThiourea and its derivatives have always attracted attention in recent decades [7][8][9]. In our previous research works on the coordination reaction of transition metal ions with thiourea derivatives [1-6], some unexpected coordination or metal cluster compounds were obtained. The structural characteristics and the differences between substituted groups on thiourea have potent influence on thiourea coordination reactions. Obviously, the structural analysis on thiourea derivatives and their coordination compounds is crucial for discovering the relationship between the novel coordination reaction and the structural characteristics of thiourea ligands and helpful to design and synthesize novel materials.As the most other aryl thiourea derivatives, the title compound has two obvious non-hydrogen atom planar substructures, i.e. the molecular plane composed by C2-C7, N3, O1 and O2, and that composed by N2, C1, N1 and S1 (figure, top). The first molecular plane, is composed by benzene ring and the nitro group with the mean derivation from plane 0.022 Å,and the second molecular plane is thiocarbonyl group with the mean derivation from plane 0.003 Å