Cargando…

Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene

The formation and crystal structure of a co-crystal based upon 1,4-di­iodo­perchloro­benzene (C(6)I(2)Cl(4)) as the halogen-bond donor along with naphthalene (nap) as the acceptor is reported. The co-crystal [systematic name: 1,2,4,5-tetra­chloro-3,6-di­iodo­benzene–naphthalene, (C(6)I(2)Cl(4))·(nap...

Descripción completa

Detalles Bibliográficos
Autores principales: Bosch, Eric, Reinheimer, Eric W., Unruh, Daniel K., Groeneman, Ryan H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561201/
https://www.ncbi.nlm.nih.gov/pubmed/37817957
http://dx.doi.org/10.1107/S2056989023008356
_version_ 1785117869500006400
author Bosch, Eric
Reinheimer, Eric W.
Unruh, Daniel K.
Groeneman, Ryan H.
author_facet Bosch, Eric
Reinheimer, Eric W.
Unruh, Daniel K.
Groeneman, Ryan H.
author_sort Bosch, Eric
collection PubMed
description The formation and crystal structure of a co-crystal based upon 1,4-di­iodo­perchloro­benzene (C(6)I(2)Cl(4)) as the halogen-bond donor along with naphthalene (nap) as the acceptor is reported. The co-crystal [systematic name: 1,2,4,5-tetra­chloro-3,6-di­iodo­benzene–naphthalene, (C(6)I(2)Cl(4))·(nap)] generates a chevron-like structure that is held together primarily by π-type halogen bonds (i.e. C—I⋯π contacts) between the components. In addition, C(6)I(2)Cl(4) also inter­acts with the acceptor via C—Cl⋯π contacts that help stabilize the co-crystal. Within the solid, both aromatic components are found to engage in offset and homogeneous face-to-face π–π stacking inter­actions. Lastly, the halogen-bond donor C(6)I(2)Cl(4) is found to engage with neighboring donors by both Type I chlorine–chlorine and Type II iodine–chlorine contacts, which generates an extended structure.
format Online
Article
Text
id pubmed-10561201
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-105612012023-10-10 Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene Bosch, Eric Reinheimer, Eric W. Unruh, Daniel K. Groeneman, Ryan H. Acta Crystallogr E Crystallogr Commun Research Communications The formation and crystal structure of a co-crystal based upon 1,4-di­iodo­perchloro­benzene (C(6)I(2)Cl(4)) as the halogen-bond donor along with naphthalene (nap) as the acceptor is reported. The co-crystal [systematic name: 1,2,4,5-tetra­chloro-3,6-di­iodo­benzene–naphthalene, (C(6)I(2)Cl(4))·(nap)] generates a chevron-like structure that is held together primarily by π-type halogen bonds (i.e. C—I⋯π contacts) between the components. In addition, C(6)I(2)Cl(4) also inter­acts with the acceptor via C—Cl⋯π contacts that help stabilize the co-crystal. Within the solid, both aromatic components are found to engage in offset and homogeneous face-to-face π–π stacking inter­actions. Lastly, the halogen-bond donor C(6)I(2)Cl(4) is found to engage with neighboring donors by both Type I chlorine–chlorine and Type II iodine–chlorine contacts, which generates an extended structure. International Union of Crystallography 2023-09-29 /pmc/articles/PMC10561201/ /pubmed/37817957 http://dx.doi.org/10.1107/S2056989023008356 Text en © Bosch et al. 2023 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
Bosch, Eric
Reinheimer, Eric W.
Unruh, Daniel K.
Groeneman, Ryan H.
Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene
title Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene
title_full Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene
title_fullStr Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene
title_full_unstemmed Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene
title_short Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene
title_sort co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561201/
https://www.ncbi.nlm.nih.gov/pubmed/37817957
http://dx.doi.org/10.1107/S2056989023008356
work_keys_str_mv AT boscheric cocrystalsustainedbyptypehalogenbondinginteractionsbetween14diiodoperchlorobenzeneandnaphthalene
AT reinheimerericw cocrystalsustainedbyptypehalogenbondinginteractionsbetween14diiodoperchlorobenzeneandnaphthalene
AT unruhdanielk cocrystalsustainedbyptypehalogenbondinginteractionsbetween14diiodoperchlorobenzeneandnaphthalene
AT groenemanryanh cocrystalsustainedbyptypehalogenbondinginteractionsbetween14diiodoperchlorobenzeneandnaphthalene