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

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

The title compound, C30H25NOP2, 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 &#19...

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Main Authors: Richard Betz, Thomas Gerber, Eric Hosten, Henk Schalekamp
Format: Article
Language:English
Published: International Union of Crystallography 2011-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811011500
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spelling doaj-954f3e325e8f4ec385cc12077df0a1722020-11-24T21:28:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-05-01675o1028o102910.1107/S1600536811011500Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactionsRichard BetzThomas GerberEric HostenHenk SchalekampThe title compound, C30H25NOP2, 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].http://scripts.iucr.org/cgi-bin/paper?S1600536811011500
collection DOAJ
language English
format Article
sources DOAJ
author Richard Betz
Thomas Gerber
Eric Hosten
Henk Schalekamp
spellingShingle Richard Betz
Thomas Gerber
Eric Hosten
Henk Schalekamp
Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions
Acta Crystallographica Section E
author_facet Richard Betz
Thomas Gerber
Eric Hosten
Henk Schalekamp
author_sort Richard Betz
title 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_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_sort redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-05-01
description The title compound, C30H25NOP2, 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].
url http://scripts.iucr.org/cgi-bin/paper?S1600536811011500
work_keys_str_mv AT richardbetz redeterminedstructureofdiphenylphosphonimidotriphenylphosphoranelocationofthehydrogenatomsandanalysisoftheintermolecularinteractions
AT thomasgerber redeterminedstructureofdiphenylphosphonimidotriphenylphosphoranelocationofthehydrogenatomsandanalysisoftheintermolecularinteractions
AT erichosten redeterminedstructureofdiphenylphosphonimidotriphenylphosphoranelocationofthehydrogenatomsandanalysisoftheintermolecularinteractions
AT henkschalekamp redeterminedstructureofdiphenylphosphonimidotriphenylphosphoranelocationofthehydrogenatomsandanalysisoftheintermolecularinteractions
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