1.
Acta Crystallogr E Crystallogr Commun
; 72(Pt 12): 1852-1855, 2016 Dec 01.
Article
in English
| MEDLINE
| ID: mdl-27980848
ABSTRACT
In the mol-ecular structure of the title compound, C23H14N4O7, the furan, di-nitro-phenyl and phenyl rings are almost in the same plane (r.m.s. deviation = 0.127â Å), with the benzoyl ring inclined by a dihedral angle of 56.4â (1)° to the three-ring system. A bifurcated intra-molecular N-Hâ¯(O,O) hydrogen bond is present. In the crystal, adjacent mol-ecules are linked by C-Hâ¯O hydrogen bonds into chains parallel to [001]. A π-π stacking inter-action between the benzoyl and di-nitro-phenyl moieties contributes to the crystal packing. Theoretical calculations using DFT(B3YLP) methods were used to confirm the mol-ecular structure.