4,5-Bis(2,4-di-tert-butyl-phen-oxy)phthalonitrile.

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, South Africa.

Published: February 2011

In the title compound, C(36)H(44)N(2)O(2), the dihedral angles between the phthalonitrile ring and the two di-tert-butyl-benzene rings are 68.134 (8) and 70.637 (11)°. The two nitrile groups are almost coplanar with the phthalonitrile ring except for one of the N atoms which deviates from the plane by 0.125 (4) Å. One of the tert-butyl groups is disordered over two orientations, with refined occupancies of 0.814 (6) and 0.186 (6). Intra-molecular C-H⋯O inter-actions stabilize the molecular structure. The crystal packing is stabilized by inter-molecular C-H⋯N inter-actions.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051978PMC
http://dx.doi.org/10.1107/S1600536811006118DOI Listing

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