(1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent

• Main Authors: Liqiong Zhu, Yan Zhao
• Format: Article
• Language: English
• Published: International Union of Crystallography 2016-04-01
• Series: IUCrData
• Subjects: crystal structure; acenaphthylene-1,2-dione; α-diimine catalyst; potential bidentate ligand; C—H...N hydrogen bonding; π-π interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2414314616005940

The title compound, C50H36N2, synthesized by the condensation reaction of 2-methyl-4,6-diphenylaniline and acenaphthylene-1,2-dione, crystallizes with two independent molecules (A and B) in the asymmetric unit. The two molecules differ essentially in the orientation of the phenyl ring at position 3′ of the terphenyl group with respect to the central ring of this unit. In molecule A this dihedral angle is 16.68 (14)°, while in molecule B the corresponding angle is 33.10 (16)°. The three-fused-ring 1,2-dihydroacenaphthylene units are planar in each molecule; r.m.s. deviation of 0.025 Å in molecule A and 0.017 Å in molecule B. The central rings of the terphenyl groups are almost normal to the mean plane of the three-fused-ring units with dihedral angles of 79.43 (12) and 82.66 (13)° in molecule A and 88.99 (13) and 87.98 (12)° in molecule B. In the crystal, the two molecules are linked via a C—H...N hydrogen bond. These A–B units are linked by a pair of C—H...π interactions, forming a four-molecule unit located about an inversion center. These four-molecule units are linked by weak π–π interactions [most significant intercentroid distance = 3.794 (2) Å], forming columns along direction [010]. A region of disordered electron density was corrected for using the SQUEEZE routine in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The formula mass and unit-cell characteristics of this unknown solvent were not be taken into account during the refinement.