Crystal Structure of (2E)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one

抄録

The title compound, (2E)-1-(anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one, C₂₃H₁₅N₁O₃, crystallizes in the orthorhombic space group Pn2₁a with the following unit-cell parameters: a = 6.9988(7), b = 11.4808(11), c = 21.7608(17)Å, Z = 4. The crystal structure was elucidated by direct methods, and refined to a final R-value of 0.0420 for 1683 observed reflections. In the title molecule, the dihedral angle between the anthracene ring and the phenyl ring is 67.7(4)°. The nitro group makes a dihedral angle of 18.4(3)° with the benzene ring. The C=C double bond of the propenone unit exhibits a trans conformation. In the crystal, molecules are linked by C–H···O hydrogen bonds, generating a three-dimensional network. The crystal structure also features weak π-π interactions [centroid-centroid separation = 3.7277 Å].