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

ABSTRACT: 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.

SUBMITTER: van Tonder JH

PROVIDER: S-EPMC3051978 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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

van Tonder Johannes H JH Muller Theunis J TJ Bezuidenhoudt Barend C B BC

Acta crystallographica. Section E, Structure reports online 20110226 Pt 3

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 struc ...[more]

PMID: 21522449

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