This data article contains the synthesis and structure information of a new Fe-base sodium metaphosphate compound, which is related to the research article entitled 'Synthesis, structural, magnetic and sodium deinsertion/insertion properties of a sodium ferrous metaphosphate, NaFe(PO3)3' by Lin et al. [1]. The research article has reported a new Fe-base metaphosphate compound NaFe(PO3)3, which ...

In this paper theoretical study by using DFT method on three conjugated compound based on 2-styryl-5-phenylazo-pyrrole is reported. These dyes contain one carboxy, two carboxy and one sulfonic acid anchoring groups, the aim is to investigate their effects on the electronic structure. The theoretical knowledge of the HOMO and LUMO energy levels of the components is cannot be ignored in investiga...

BACKGROUND In traditional medicine, there has been a great deal of research on the effects exhibited by medicinal materials. To study the effects, resources that can systematically describe the chemical compounds in medicinal materials are necessary. In recent years, numerous databases on medicinal materials and constituent compounds have been constructed. However, because these databases provi...

The title compound, C(20)H(16)N(4), is a precursor for the production of electron-transporting and -emitting materials. The bond lengths and angles in this compound are normal. In the crystal structure, there are no significant hydrogen-bonding inter-actions or π-π stacking inter-actions between mol-ecules.