Synthesis, Crystal Structure and Fluorescence Behavior of 2,6- Di(thiophen-2-yl)-benzo[1,2-d:4,5-d´]bisoxazole

Abstract

An effective and clean new aerobic approach for the synthesis of 2,6-disubstituted benzobisoxazole by using a one-pot reaction of an organic aminoxyl radical as the catalyst is reported. 2,6-Di(thiophen-2-yl)-benzo[1,2-d : 4,5-d ]bisoxazole was synthesized with catalysis by the free radical 4-methoxy-TEMPO and characterized by 1 H and 13 C NMR spectroscopy, HRMS, as well as by elemental analysis, UV/Vis and emission spectroscopy. The crystal structure of the title compound has been determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group C2/c with a = 12.531(1), b = 3.8960(2), c = 28.733(2)Å, β = 100.760(1) • , Z = 4. Through intermolecular weak C-H· · ·O hydrogen bonding and π-π stacking interactions, a supramolecular 3D structure is formed.

Synthesis, Crystallographic Structure, Hirshfeld Surface Analysis, Drug-likeness Properties and Molecular Docking Studies of New Oxime-pyridine Compounds

“…Basically 3 pairs of hydrogen bond interactions are observed in the structure, these are C-H···O, C-H···N and C-H···Cl intramolecular and intermolecular hydrogen bonds. 29,30 Selected hydrogen bond distances and angles are listed in Table 3. In HL 2 , carbon atom C10 acts as a donor to N1 atom at C( 10)-H(10A)···N(1) (x,1.5-y,-1/2+z), developing the capped stick style and two-dimensional chain along the crystallographic axis as depicted in Fig.…”