2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole

Abstract

The title compound is a conjugated molecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Angstrom. The molecule assumes an approximately flat conformation, the benzoxazole ring system forming dihedral angles of 6.52° (12) and 7.4° (3) with the benzene ring and the nitro group, respectively. In the crystal, molecules are connected by very weak C—H...O hydrogen interactions, forming chains running parallel to the a or c axes. The methyl H atoms are disordered over two sets of sites of equal occupancy rotated by 60°

3,3′-({4-[(4,5-Dicyano-1H-imidazol-2-yl)diazenyl]phenyl}imino)dipropionic acid

“…The rationalization of the local packing modes of chromophore units (Thallapally et al, 2002;Centore & Piccialli, 2012;Centore, Piccialli & Tuzi, 2013) is another crucial point, because many properties required for optimum device performances (e. g. electron mobility) critically depend on the packing not less than on strictly molecular properties. In our research group we are interested in the synthesis of new heterocyclic compounds, including metal containing heterocyclic compounds (Takjoo et al, 2011;Takjoo & Centore, 2013), for applications as advanced materials and bioactive compounds (Piccialli et al, 2013), and in the analysis of crystal structures controlled by the formation of H bonds (Centore, Jazbinsek et al, 2012;Centore, Fusco, Jazbinsek et al, 2013).…”

“…For the synthesis of related heterocyclic compounds, see: ; Piccialli et al (2013); . For the local packing modes of non-linear optical chromophores see: Thallapally et al (2002); Centore & Piccialli (2012); Centore, Piccialli & Tuzi (2013). For hydrogen bonding in crystal structures, see: Allen et al (1999); Steiner (2002); Centore, Jazbinsek et al (2012); Centore, Fusco, Jazbinsek et al (2013).…”