3-Methyl-4,5-dihydrooxazolium tetraphenylborate

3-Methyl-4,5-dihydrooxazolium tetraphenylborate

In the cation of the title salt, C4H8NO+·C24H20B−, the C—N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within the NCO plan...

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Main Authors: Ioannis Tiritiris, Stefan Saur, Willi Kantlehner
Format: Article
Language:English
Published: International Union of Crystallography 2014-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814003456
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spelling doaj-73c5e3c3209646d5847079192d148d062020-11-24T21:40:24ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-03-01703o325o32510.1107/S1600536814003456kp24653-Methyl-4,5-dihydrooxazolium tetraphenylborateIoannis Tiritiris0Stefan Saur1Willi Kantlehner2Fakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, GermanyFakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, GermanyFakultät Chemie/Organische Chemie, Hochschule Aalen, Beethovenstrasse 1, D-73430 Aalen, GermanyIn the cation of the title salt, C4H8NO+·C24H20B−, the C—N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within the NCO plane of the cation. In the crystal, a C—H...π interaction is present between the methylene H atom of the cation and one phenyl ring of the tetraphenylborate ion. The latter forms an aromatic pocket in which the cation is embedded.http://scripts.iucr.org/cgi-bin/paper?S1600536814003456
collection DOAJ
language English
format Article
sources DOAJ
author Ioannis Tiritiris
Stefan Saur
Willi Kantlehner
spellingShingle Ioannis Tiritiris
Stefan Saur
Willi Kantlehner
3-Methyl-4,5-dihydrooxazolium tetraphenylborate
Acta Crystallographica Section E
author_facet Ioannis Tiritiris
Stefan Saur
Willi Kantlehner
author_sort Ioannis Tiritiris
title 3-Methyl-4,5-dihydrooxazolium tetraphenylborate
title_short 3-Methyl-4,5-dihydrooxazolium tetraphenylborate
title_full 3-Methyl-4,5-dihydrooxazolium tetraphenylborate
title_fullStr 3-Methyl-4,5-dihydrooxazolium tetraphenylborate
title_full_unstemmed 3-Methyl-4,5-dihydrooxazolium tetraphenylborate
title_sort 3-methyl-4,5-dihydrooxazolium tetraphenylborate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-03-01
description In the cation of the title salt, C4H8NO+·C24H20B−, the C—N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within the NCO plane of the cation. In the crystal, a C—H...π interaction is present between the methylene H atom of the cation and one phenyl ring of the tetraphenylborate ion. The latter forms an aromatic pocket in which the cation is embedded.
url http://scripts.iucr.org/cgi-bin/paper?S1600536814003456
work_keys_str_mv AT ioannistiritiris 3methyl45dihydrooxazoliumtetraphenylborate
AT stefansaur 3methyl45dihydrooxazoliumtetraphenylborate
AT willikantlehner 3methyl45dihydrooxazoliumtetraphenylborate
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