Cargando…

Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate

N-Butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propenimine (1) crystallizes from benzene and hexa­nes in the presence of HCl as a mono­benzene solvate of the hydro­chloride salt, [1H]Cl·C(6)H(6) or C(31)H(54)N(3) (+)·Cl(−)·C(6)H(6), in the P2(1)/n space group. The protonation of 1 results in the gener...

Descripción completa

Detalles Bibliográficos
Autores principales: Muñoz Sánchez, Gaby M., Zdilla, Michael J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443799/
https://www.ncbi.nlm.nih.gov/pubmed/36072514
http://dx.doi.org/10.1107/S2056989022008076
_version_ 1784783068520775680
author Muñoz Sánchez, Gaby M.
Zdilla, Michael J.
author_facet Muñoz Sánchez, Gaby M.
Zdilla, Michael J.
author_sort Muñoz Sánchez, Gaby M.
collection PubMed
description N-Butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propenimine (1) crystallizes from benzene and hexa­nes in the presence of HCl as a mono­benzene solvate of the hydro­chloride salt, [1H]Cl·C(6)H(6) or C(31)H(54)N(3) (+)·Cl(−)·C(6)H(6), in the P2(1)/n space group. The protonation of 1 results in the generation of an aromatic structure based upon the delocalization of the cyclo­propene double bond around the cyclo­propene ring, giving three inter­mediate C—C bond lengths of ∼1.41 Å, and the delocalization of the imine-type C—N double bond, giving three inter­mediate C—N bond lengths of ∼1.32 Å. Ion–ion and ion–benzene packing inter­actions are described and illustrated.
format Online
Article
Text
id pubmed-9443799
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-94437992022-09-06 Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate Muñoz Sánchez, Gaby M. Zdilla, Michael J. Acta Crystallogr E Crystallogr Commun Research Communications N-Butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propenimine (1) crystallizes from benzene and hexa­nes in the presence of HCl as a mono­benzene solvate of the hydro­chloride salt, [1H]Cl·C(6)H(6) or C(31)H(54)N(3) (+)·Cl(−)·C(6)H(6), in the P2(1)/n space group. The protonation of 1 results in the generation of an aromatic structure based upon the delocalization of the cyclo­propene double bond around the cyclo­propene ring, giving three inter­mediate C—C bond lengths of ∼1.41 Å, and the delocalization of the imine-type C—N double bond, giving three inter­mediate C—N bond lengths of ∼1.32 Å. Ion–ion and ion–benzene packing inter­actions are described and illustrated. International Union of Crystallography 2022-08-23 /pmc/articles/PMC9443799/ /pubmed/36072514 http://dx.doi.org/10.1107/S2056989022008076 Text en © Muñoz Sánchez and Zdilla 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Muñoz Sánchez, Gaby M.
Zdilla, Michael J.
Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate
title Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate
title_full Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate
title_fullStr Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate
title_full_unstemmed Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate
title_short Crystal structure of N-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate
title_sort crystal structure of n-butyl-2,3-bis­(di­cyclo­hexyl­amino)­cyclo­propeniminium chloride benzene monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443799/
https://www.ncbi.nlm.nih.gov/pubmed/36072514
http://dx.doi.org/10.1107/S2056989022008076
work_keys_str_mv AT munozsanchezgabym crystalstructureofnbutyl23bisdicyclohexylaminocyclopropeniminiumchloridebenzenemonosolvate
AT zdillamichaelj crystalstructureofnbutyl23bisdicyclohexylaminocyclopropeniminiumchloridebenzenemonosolvate