1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate

In the title compound, C(25)H(35)N(2) (+)·Cl(−)·H(2)O, the imidazolidine ring adopts a twisted conformation, with a pseudo-twofold axis passing through the N—C—N carbon and the opposite C—C bond. The N—C—N fragment of the imidazolidine ring shows some degree of both double- and single-bond character...

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Detalles Bibliográficos
Autores principales: Arslan, Hakan, VanDerveer, Don, Yaşar, Sedat, Özdemir, İsmail, Çetinkaya, Bekir
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968238/
https://www.ncbi.nlm.nih.gov/pubmed/21581919
http://dx.doi.org/10.1107/S1600536809000452
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author Arslan, Hakan
VanDerveer, Don
Yaşar, Sedat
Özdemir, İsmail
Çetinkaya, Bekir
author_facet Arslan, Hakan
VanDerveer, Don
Yaşar, Sedat
Özdemir, İsmail
Çetinkaya, Bekir
author_sort Arslan, Hakan
collection PubMed
description In the title compound, C(25)H(35)N(2) (+)·Cl(−)·H(2)O, the imidazolidine ring adopts a twisted conformation, with a pseudo-twofold axis passing through the N—C—N carbon and the opposite C—C bond. The N—C—N fragment of the imidazolidine ring shows some degree of both double- and single-bond character due to partial electron delocalization. One of the tert-butyl groups is disordered over two conformations with occupancies of 0.714 (8) and 0.286 (8). In the crystal, O—H⋯Cl and C—H⋯O hydrogen bonds help to establish the packing.
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spelling pubmed-29682382010-12-30 1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate Arslan, Hakan VanDerveer, Don Yaşar, Sedat Özdemir, İsmail Çetinkaya, Bekir Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(35)N(2) (+)·Cl(−)·H(2)O, the imidazolidine ring adopts a twisted conformation, with a pseudo-twofold axis passing through the N—C—N carbon and the opposite C—C bond. The N—C—N fragment of the imidazolidine ring shows some degree of both double- and single-bond character due to partial electron delocalization. One of the tert-butyl groups is disordered over two conformations with occupancies of 0.714 (8) and 0.286 (8). In the crystal, O—H⋯Cl and C—H⋯O hydrogen bonds help to establish the packing. International Union of Crystallography 2009-01-14 /pmc/articles/PMC2968238/ /pubmed/21581919 http://dx.doi.org/10.1107/S1600536809000452 Text en © Arslan et al. 2009 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
Arslan, Hakan
VanDerveer, Don
Yaşar, Sedat
Özdemir, İsmail
Çetinkaya, Bekir
1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate
title 1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate
title_full 1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate
title_fullStr 1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate
title_full_unstemmed 1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate
title_short 1,3-Bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate
title_sort 1,3-bis(4-tert-butyl­benz­yl)-4,5-dihydro­imidazolium chloride monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968238/
https://www.ncbi.nlm.nih.gov/pubmed/21581919
http://dx.doi.org/10.1107/S1600536809000452
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