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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...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2022
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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 |
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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 |
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