4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile

In the title compound, C(36)H(44)N(2)O(2), the dihedral angles between the phthalonitrile ring and the two di-tert-butyl­benzene 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...

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Detalles Bibliográficos
Autores principales: van Tonder, Johannes H., Muller, Theunis J., Bezuidenhoudt, Barend C. B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051978/
https://www.ncbi.nlm.nih.gov/pubmed/21522449
http://dx.doi.org/10.1107/S1600536811006118
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author van Tonder, Johannes H.
Muller, Theunis J.
Bezuidenhoudt, Barend C. B.
author_facet van Tonder, Johannes H.
Muller, Theunis J.
Bezuidenhoudt, Barend C. B.
author_sort van Tonder, Johannes H.
collection PubMed
description In the title compound, C(36)H(44)N(2)O(2), the dihedral angles between the phthalonitrile ring and the two di-tert-butyl­benzene 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). Intra­molecular C—H⋯O inter­actions stabilize the molecular structure. The crystal packing is stabilized by inter­molecular C—H⋯N inter­actions.
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spelling pubmed-30519782011-04-26 4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile van Tonder, Johannes H. Muller, Theunis J. Bezuidenhoudt, Barend C. B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(36)H(44)N(2)O(2), the dihedral angles between the phthalonitrile ring and the two di-tert-butyl­benzene 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). Intra­molecular C—H⋯O inter­actions stabilize the molecular structure. The crystal packing is stabilized by inter­molecular C—H⋯N inter­actions. International Union of Crystallography 2011-02-26 /pmc/articles/PMC3051978/ /pubmed/21522449 http://dx.doi.org/10.1107/S1600536811006118 Text en © Tonder et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
van Tonder, Johannes H.
Muller, Theunis J.
Bezuidenhoudt, Barend C. B.
4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile
title 4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile
title_full 4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile
title_fullStr 4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile
title_full_unstemmed 4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile
title_short 4,5-Bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile
title_sort 4,5-bis(2,4-di-tert-butyl­phen­oxy)phthalonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051978/
https://www.ncbi.nlm.nih.gov/pubmed/21522449
http://dx.doi.org/10.1107/S1600536811006118
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