Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing

Four new pyridine/ meta -substituted halopyridine appended coordination polymers (CPs) {[Cu­(ip) 6 (py) 6 ]·2CH 3 OH} n ( 1 ), [Cu­(ip) 2 (3-Clpy) 2 ] n ( 2 ), [Cu­(ip) 2 (3-Brpy) 2 ] n ( 3 ), and [Cu­(ip) 2 (3-Ipy) 2 ] n ( 4 ) (py = pyridine, 3-Clpy = 3-chloropyridine, 3-Brpy = 3-bromopyridine, 3-I...

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Main Authors: Sanobar Naaz (11894900), Bhaswati Debnath (11894903), Sakhiul Islam (6751955), Samim Khan (4767567), Faruk Ahmed (3069822), Basudeb Dutta (3955133), Atish Dipankar Jana (536407), Mohammad Hedayetullah Mir (2422363)
Format: Other Non-Article Part of Journal/Newspaper
Language:unknown
Published: 2022
Subjects:
IPY
Online Access:https://doi.org/10.1021/acs.cgd.1c01219.s001
id ftsmithonian:oai:figshare.com:article/17714780
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spelling ftsmithonian:oai:figshare.com:article/17714780 2023-05-15T16:55:49+02:00 Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing Sanobar Naaz (11894900) Bhaswati Debnath (11894903) Sakhiul Islam (6751955) Samim Khan (4767567) Faruk Ahmed (3069822) Basudeb Dutta (3955133) Atish Dipankar Jana (536407) Mohammad Hedayetullah Mir (2422363) 2022-01-03T00:00:00Z https://doi.org/10.1021/acs.cgd.1c01219.s001 unknown https://figshare.com/articles/journal_contribution/Carboxylato_Bridged_Cyclic_SBUs_as_Robust_Features_in_a_Series_of_Cu_II_Coordination_Polymers_and_Halogen_Halogen_Interactions_in_Crystal_Packing/17714780 doi:10.1021/acs.cgd.1c01219.s001 CC BY-NC 4.0 CC-BY-NC Biophysics Biochemistry Medicine Cell Biology Molecular Biology Physiology Computational Biology Environmental Sciences not elsewhere classified Astronomical and Space Sciences not elsewhere classified Chemical Sciences not elsewhere classified Physical Sciences not elsewhere classified ray diffraction technique 1d tape structure coordination polymeric structure 2 </ sub 4 </ b 2 </ b single crystal x 3 </ sub ipy )< sub clpy )< sub brpy )< sub 3 </ b pyridine ring forms n </ meta </ coordination polymers ></ sub >< sub (< b study reveals structurally characterized robust features oh }< isophthalic acid diffusion method Text Journal contribution 2022 ftsmithonian https://doi.org/10.1021/acs.cgd.1c01219.s001 2022-01-06T11:14:54Z Four new pyridine/ meta -substituted halopyridine appended coordination polymers (CPs) {[Cu­(ip) 6 (py) 6 ]·2CH 3 OH} n ( 1 ), [Cu­(ip) 2 (3-Clpy) 2 ] n ( 2 ), [Cu­(ip) 2 (3-Brpy) 2 ] n ( 3 ), and [Cu­(ip) 2 (3-Ipy) 2 ] n ( 4 ) (py = pyridine, 3-Clpy = 3-chloropyridine, 3-Brpy = 3-bromopyridine, 3-Ipy = 3-iodopyridine, and H 2 ip = isophthalic acid) have been synthesized by a diffusion method. The compounds are structurally characterized by the single crystal X-ray diffraction technique, and supramolecular interactions are studied by geometrical and density functional theory calculations. The study reveals that the compounds 1 – 3 form a two-dimensional (2D) coordination polymeric structure with carboxylato bridged dimeric Cu­(II) cyclic secondary building units. However, a cyclic supramolecular synthon involving four halogen (X = Cl, Br) atoms has been observed in 2 and 3 . This cyclic halogen synthon combined with a pyridine ring forms a (π···π)+X···X+(π···π) mega-synthon, which dictates the dimensionality of 2D CPs into a three-dimensional (3D) network. However, compound 4 with a larger I atom does not show such interactions and forms a 1D tape structure. Other Non-Article Part of Journal/Newspaper IPY Unknown
institution Open Polar
collection Unknown
op_collection_id ftsmithonian
language unknown
topic Biophysics
Biochemistry
Medicine
Cell Biology
Molecular Biology
Physiology
Computational Biology
Environmental Sciences not elsewhere classified
Astronomical and Space Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Physical Sciences not elsewhere classified
ray diffraction technique
1d tape structure
coordination polymeric structure
2 </ sub
4 </ b
2 </ b
single crystal x
3 </ sub
ipy )< sub
clpy )< sub
brpy )< sub
3 </ b
pyridine ring forms
n </
meta </
coordination polymers
></ sub
>< sub
(< b
study reveals
structurally characterized
robust features
oh }<
isophthalic acid
diffusion method
spellingShingle Biophysics
Biochemistry
Medicine
Cell Biology
Molecular Biology
Physiology
Computational Biology
Environmental Sciences not elsewhere classified
Astronomical and Space Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Physical Sciences not elsewhere classified
ray diffraction technique
1d tape structure
coordination polymeric structure
2 </ sub
4 </ b
2 </ b
single crystal x
3 </ sub
ipy )< sub
clpy )< sub
brpy )< sub
3 </ b
pyridine ring forms
n </
meta </
coordination polymers
></ sub
>< sub
(< b
study reveals
structurally characterized
robust features
oh }<
isophthalic acid
diffusion method
Sanobar Naaz (11894900)
Bhaswati Debnath (11894903)
Sakhiul Islam (6751955)
Samim Khan (4767567)
Faruk Ahmed (3069822)
Basudeb Dutta (3955133)
Atish Dipankar Jana (536407)
Mohammad Hedayetullah Mir (2422363)
Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing
topic_facet Biophysics
Biochemistry
Medicine
Cell Biology
Molecular Biology
Physiology
Computational Biology
Environmental Sciences not elsewhere classified
Astronomical and Space Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Physical Sciences not elsewhere classified
ray diffraction technique
1d tape structure
coordination polymeric structure
2 </ sub
4 </ b
2 </ b
single crystal x
3 </ sub
ipy )< sub
clpy )< sub
brpy )< sub
3 </ b
pyridine ring forms
n </
meta </
coordination polymers
></ sub
>< sub
(< b
study reveals
structurally characterized
robust features
oh }<
isophthalic acid
diffusion method
description Four new pyridine/ meta -substituted halopyridine appended coordination polymers (CPs) {[Cu­(ip) 6 (py) 6 ]·2CH 3 OH} n ( 1 ), [Cu­(ip) 2 (3-Clpy) 2 ] n ( 2 ), [Cu­(ip) 2 (3-Brpy) 2 ] n ( 3 ), and [Cu­(ip) 2 (3-Ipy) 2 ] n ( 4 ) (py = pyridine, 3-Clpy = 3-chloropyridine, 3-Brpy = 3-bromopyridine, 3-Ipy = 3-iodopyridine, and H 2 ip = isophthalic acid) have been synthesized by a diffusion method. The compounds are structurally characterized by the single crystal X-ray diffraction technique, and supramolecular interactions are studied by geometrical and density functional theory calculations. The study reveals that the compounds 1 – 3 form a two-dimensional (2D) coordination polymeric structure with carboxylato bridged dimeric Cu­(II) cyclic secondary building units. However, a cyclic supramolecular synthon involving four halogen (X = Cl, Br) atoms has been observed in 2 and 3 . This cyclic halogen synthon combined with a pyridine ring forms a (π···π)+X···X+(π···π) mega-synthon, which dictates the dimensionality of 2D CPs into a three-dimensional (3D) network. However, compound 4 with a larger I atom does not show such interactions and forms a 1D tape structure.
format Other Non-Article Part of Journal/Newspaper
author Sanobar Naaz (11894900)
Bhaswati Debnath (11894903)
Sakhiul Islam (6751955)
Samim Khan (4767567)
Faruk Ahmed (3069822)
Basudeb Dutta (3955133)
Atish Dipankar Jana (536407)
Mohammad Hedayetullah Mir (2422363)
author_facet Sanobar Naaz (11894900)
Bhaswati Debnath (11894903)
Sakhiul Islam (6751955)
Samim Khan (4767567)
Faruk Ahmed (3069822)
Basudeb Dutta (3955133)
Atish Dipankar Jana (536407)
Mohammad Hedayetullah Mir (2422363)
author_sort Sanobar Naaz (11894900)
title Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing
title_short Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing
title_full Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing
title_fullStr Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing
title_full_unstemmed Carboxylato Bridged Cyclic SBUs as Robust Features in a Series of Cu(II) Coordination Polymers and Halogen···Halogen Interactions in Crystal Packing
title_sort carboxylato bridged cyclic sbus as robust features in a series of cu(ii) coordination polymers and halogen···halogen interactions in crystal packing
publishDate 2022
url https://doi.org/10.1021/acs.cgd.1c01219.s001
genre IPY
genre_facet IPY
op_relation https://figshare.com/articles/journal_contribution/Carboxylato_Bridged_Cyclic_SBUs_as_Robust_Features_in_a_Series_of_Cu_II_Coordination_Polymers_and_Halogen_Halogen_Interactions_in_Crystal_Packing/17714780
doi:10.1021/acs.cgd.1c01219.s001
op_rights CC BY-NC 4.0
op_rightsnorm CC-BY-NC
op_doi https://doi.org/10.1021/acs.cgd.1c01219.s001
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