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Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions

The title compound, C(30)H(25)NOP(2), is a bulky phosphazene derivative. Its previous crystal structure [Cameron et al. (1979 ▶). Acta Cryst. B35, 1373–1377] is confirmed and its H atoms have been located in the present study. The formal P=N double bond is about 0.05 Å shorter than the P—N single bo...

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Detalles Bibliográficos
Autores principales: Betz, Richard, Gerber, Thomas, Hosten, Eric, Schalekamp, Henk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089147/
https://www.ncbi.nlm.nih.gov/pubmed/21754359
http://dx.doi.org/10.1107/S1600536811011500
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author Betz, Richard
Gerber, Thomas
Hosten, Eric
Schalekamp, Henk
author_facet Betz, Richard
Gerber, Thomas
Hosten, Eric
Schalekamp, Henk
author_sort Betz, Richard
collection PubMed
description The title compound, C(30)H(25)NOP(2), is a bulky phosphazene derivative. Its previous crystal structure [Cameron et al. (1979 ▶). Acta Cryst. B35, 1373–1377] is confirmed and its H atoms have been located in the present study. The formal P=N double bond is about 0.05 Å shorter than the P—N single bond and the large P=N—P bond angle reflects the steric strain in the mol­ecule. An intra­molecular C—H⋯O inter­action occurs. In the crystal, short C—H⋯O contacts connect the mol­ecules into chains propagating in [011], which are cross-linked via C—H⋯π inter­actions, generating a three-dimensional network. Aromatic π–π stacking also occurs [shortest centroid–centroid separation = 3.6012 (11) Å].
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spelling pubmed-30891472011-07-13 Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions Betz, Richard Gerber, Thomas Hosten, Eric Schalekamp, Henk Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(30)H(25)NOP(2), is a bulky phosphazene derivative. Its previous crystal structure [Cameron et al. (1979 ▶). Acta Cryst. B35, 1373–1377] is confirmed and its H atoms have been located in the present study. The formal P=N double bond is about 0.05 Å shorter than the P—N single bond and the large P=N—P bond angle reflects the steric strain in the mol­ecule. An intra­molecular C—H⋯O inter­action occurs. In the crystal, short C—H⋯O contacts connect the mol­ecules into chains propagating in [011], which are cross-linked via C—H⋯π inter­actions, generating a three-dimensional network. Aromatic π–π stacking also occurs [shortest centroid–centroid separation = 3.6012 (11) Å]. International Union of Crystallography 2011-04-07 /pmc/articles/PMC3089147/ /pubmed/21754359 http://dx.doi.org/10.1107/S1600536811011500 Text en © Betz 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
Betz, Richard
Gerber, Thomas
Hosten, Eric
Schalekamp, Henk
Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions
title Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions
title_full Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions
title_fullStr Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions
title_full_unstemmed Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions
title_short Redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions
title_sort redetermined structure of diphenyl­phospho­nimidotriphenyl­phospho­rane: location of the hydrogen atoms and analysis of the inter­molecular inter­actions
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089147/
https://www.ncbi.nlm.nih.gov/pubmed/21754359
http://dx.doi.org/10.1107/S1600536811011500
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