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Conformations of Bridged Diphenyls. I. Crystal Structure of 2-(3′-Methyl-4′-nitrophenoxy)-1,3-diisopropylbenzene

 

作者: E. A. H. Griffith,   W. D. Chandler,   B. E. Robertson,  

 

期刊: Canadian Journal of Chemistry  (NRC Available online 1972)
卷期: Volume 50, issue 18  

页码: 2963-2971

 

ISSN:0008-4042

 

年代: 1972

 

DOI:10.1139/v72-475

 

出版商: NRC Research Press

 

数据来源: NRC

 

摘要:

The structure of 2-(3′-methyl-4′-nitrophenoxy)-1,3-diisopropylbenzene, C19H23NO3, has been determined by X-ray diffraction. The crystals are triclinic,a = 12.422(24),b = 13.180(25),c = 11.241(30) Å, α = 89.99(20), β = 95.81(15), γ = 105.46(12)°,withZ = 4. The intensities of 8153 independent reflections were measured on a four circle diffractometer, of which 3701 were used in the refinement of the structure to give a final least-squares weighted residue of 0.053.The ether oxygen bond angle in each of the two independent molecules is 120°. The two phenyl rings are nearly orthogonal in each case, while the ring containing the electron withdrawing nitro group is conjugated with the ether oxygen atom. The rings show significant deviations from hexagonal symmetry and the nitro-substituted ring is bent away from the other ring.

 

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