(1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent
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′...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-04-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616005940 |
| _version_ | 1818484753621319680 |
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| author | Liqiong Zhu Yan Zhao |
| author_facet | Liqiong Zhu Yan Zhao |
| author_sort | Liqiong Zhu |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-10T15:59:01Z |
| format | Article |
| id | doaj.art-9aa0fd7333da4cc9b6162075bd5c9332 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-10T15:59:01Z |
| publishDate | 2016-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-9aa0fd7333da4cc9b6162075bd5c93322022-12-22T01:42:29ZengInternational Union of CrystallographyIUCrData2414-31462016-04-0114x16059410.1107/S2414314616005940su4029(1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solventLiqiong Zhu0Yan Zhao1Key Laboratory of Bioelectrochemical and Environmental Analysis of Gansu Province, College of Chemistry & Chemical Engineering, Northwest Normal University, Lanzhou 730070, People's Republic of ChinaKey Laboratory of Bioelectrochemical and Environmental Analysis of Gansu Province, College of Chemistry & Chemical Engineering, Northwest Normal University, Lanzhou 730070, People's Republic of ChinaThe 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.http://scripts.iucr.org/cgi-bin/paper?S2414314616005940crystal structureacenaphthylene-1,2-dioneα-diimine catalystpotential bidentate ligandC—H...N hydrogen bondingπ-π interactions |
| spellingShingle | Liqiong Zhu Yan Zhao (1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent IUCrData crystal structure acenaphthylene-1,2-dione α-diimine catalyst potential bidentate ligand C—H...N hydrogen bonding π-π interactions |
| title | (1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent |
| title_full | (1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent |
| title_fullStr | (1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent |
| title_full_unstemmed | (1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent |
| title_short | (1E,2E)-N1,N2-Bis(5′-methyl-[1,1′:3′,1′′-terphenyl]-4′-yl)acenaphthylene-1,2-diimine unknown solvent |
| title_sort | 1e 2e n1 n2 bis 5 methyl 1 1 3 1 terphenyl 4 yl acenaphthylene 1 2 diimine unknown solvent |
| topic | crystal structure acenaphthylene-1,2-dione α-diimine catalyst potential bidentate ligand C—H...N hydrogen bonding π-π interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616005940 |
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