An energetic derivative of 2,2′,4,4′,6,6′-hexanitrostilbene (HNS) and its DMF solvate crystallized from HNS solution with tertiary amine additives

An energetic derivative of 2,2′,4,4′,6,6′-hexanitrostilbene (HNS) and 2,4,7,9-tetranitro-10H-benzofuro[3,2-b]indole (TNBFI) has been synthesized from the N,N-dimethylformamide (DMF) solution of HNS with different tertiary amine additives, 4-(4-pyridyl)morpholine and 1,1-bis(morpholino) ethylene. TNBFI crystallized with DMF in a solvate, TNBFI·2DMF, was identified by negative ESI mass spectrum and single-crystal X-ray diffractions. The 3D-supermolecular structure of TNBFI·2DMF was built from the alternate stacking of TNBFI and DMF layers with π-stacking interactions between TNBFI molecules and H-bonding interactions between TNBFI and DMF molecules. The energetic properties of TNBFI molecule as well as the thermal stability of its DMF solvate have been investigated.