A new polymorph of six-coordinated bis(5,5′-dimethyl-2,2′-bipyridine) nitratocopper(II) nitrate and its DNA interactions
•A new polymorph of Cu(II) based complex was obtained (Form II).•Spectroscopic and X-ray studies were carried out.•In the six-coordinate Form II the nitrate is bidentate.•The complex interact with DNA moderately. Here, we present a new polymorph of the [Cu(5mebipy)(NO3)]NO3 complex (1, Form II), whe...
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creator | Gonçalves, Guilherme R. de Carvalho, Alexandre B. Honorato, João Oliveira, Katia M. Correa, Rodrigo S. |
description | •A new polymorph of Cu(II) based complex was obtained (Form II).•Spectroscopic and X-ray studies were carried out.•In the six-coordinate Form II the nitrate is bidentate.•The complex interact with DNA moderately.
Here, we present a new polymorph of the [Cu(5mebipy)(NO3)]NO3 complex (1, Form II), where 5mebipy means 5,5′-dimethyl-2,2′-bipyridine. The copper(II) complex 1 was characterized by spectroscopic techniques and single-crystal X-ray diffraction. The Form II presents a six-coordinated structure, meanwhile the Form I, previously reported, is five-coordinated with the nitrate ligand as monodentate. The molecular structures of both crystalline forms were compared based on intramolecular aspects using Kleywegt's analysis and the intermolecular contacts evaluated by Hirshfeld surface studies. Moreover, the interaction of the complex [Cu(5mebipy)(NO3)]+ with CT-DNA was carried out using viscosity and spectrophotometric titrations, exhibiting a binding constant of 2.57 × 104 M − 1. This study contributes to explore the intra and intermolecular details of the new polymorph of the complex [Cu(5mebipy)(NO3)]NO3 and its capability to interacts with CT-DNA.
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doi_str_mv | 10.1016/j.molstruc.2020.129035 |
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Here, we present a new polymorph of the [Cu(5mebipy)(NO3)]NO3 complex (1, Form II), where 5mebipy means 5,5′-dimethyl-2,2′-bipyridine. The copper(II) complex 1 was characterized by spectroscopic techniques and single-crystal X-ray diffraction. The Form II presents a six-coordinated structure, meanwhile the Form I, previously reported, is five-coordinated with the nitrate ligand as monodentate. The molecular structures of both crystalline forms were compared based on intramolecular aspects using Kleywegt's analysis and the intermolecular contacts evaluated by Hirshfeld surface studies. Moreover, the interaction of the complex [Cu(5mebipy)(NO3)]+ with CT-DNA was carried out using viscosity and spectrophotometric titrations, exhibiting a binding constant of 2.57 × 104 M − 1. This study contributes to explore the intra and intermolecular details of the new polymorph of the complex [Cu(5mebipy)(NO3)]NO3 and its capability to interacts with CT-DNA.
[Display omitted]</description><identifier>ISSN: 0022-2860</identifier><identifier>EISSN: 1872-8014</identifier><identifier>DOI: 10.1016/j.molstruc.2020.129035</identifier><language>eng</language><publisher>AMSTERDAM: Elsevier B.V</publisher><subject>Chemistry ; Chemistry, Physical ; Copper(II) ; Diimine ligand ; DNA interaction ; Infrared ; Physical Sciences ; Polymorphism ; Science & Technology</subject><ispartof>Journal of molecular structure, 2021-01, Vol.1224, p.129035, Article 129035</ispartof><rights>2020</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>true</woscitedreferencessubscribed><woscitedreferencescount>5</woscitedreferencescount><woscitedreferencesoriginalsourcerecordid>wos000597341400006</woscitedreferencesoriginalsourcerecordid><citedby>FETCH-LOGICAL-c312t-ec947370275bead5fecd8895f832b4d1bceba4f136de361e076822124cb5ccdf3</citedby><cites>FETCH-LOGICAL-c312t-ec947370275bead5fecd8895f832b4d1bceba4f136de361e076822124cb5ccdf3</cites><orcidid>0000-0002-1127-6083 ; 0000-0003-2783-0816 ; 0000-0003-4749-0281</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.molstruc.2020.129035$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>315,781,785,3551,27929,27930,39263,46000</link.rule.ids></links><search><creatorcontrib>Gonçalves, Guilherme R.</creatorcontrib><creatorcontrib>de Carvalho, Alexandre B.</creatorcontrib><creatorcontrib>Honorato, João</creatorcontrib><creatorcontrib>Oliveira, Katia M.</creatorcontrib><creatorcontrib>Correa, Rodrigo S.</creatorcontrib><title>A new polymorph of six-coordinated bis(5,5′-dimethyl-2,2′-bipyridine) nitratocopper(II) nitrate and its DNA interactions</title><title>Journal of molecular structure</title><addtitle>J MOL STRUCT</addtitle><description>•A new polymorph of Cu(II) based complex was obtained (Form II).•Spectroscopic and X-ray studies were carried out.•In the six-coordinate Form II the nitrate is bidentate.•The complex interact with DNA moderately.
Here, we present a new polymorph of the [Cu(5mebipy)(NO3)]NO3 complex (1, Form II), where 5mebipy means 5,5′-dimethyl-2,2′-bipyridine. The copper(II) complex 1 was characterized by spectroscopic techniques and single-crystal X-ray diffraction. The Form II presents a six-coordinated structure, meanwhile the Form I, previously reported, is five-coordinated with the nitrate ligand as monodentate. The molecular structures of both crystalline forms were compared based on intramolecular aspects using Kleywegt's analysis and the intermolecular contacts evaluated by Hirshfeld surface studies. Moreover, the interaction of the complex [Cu(5mebipy)(NO3)]+ with CT-DNA was carried out using viscosity and spectrophotometric titrations, exhibiting a binding constant of 2.57 × 104 M − 1. This study contributes to explore the intra and intermolecular details of the new polymorph of the complex [Cu(5mebipy)(NO3)]NO3 and its capability to interacts with CT-DNA.
[Display omitted]</description><subject>Chemistry</subject><subject>Chemistry, Physical</subject><subject>Copper(II)</subject><subject>Diimine ligand</subject><subject>DNA interaction</subject><subject>Infrared</subject><subject>Physical Sciences</subject><subject>Polymorphism</subject><subject>Science & Technology</subject><issn>0022-2860</issn><issn>1872-8014</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>HGBXW</sourceid><recordid>eNqNkMtKAzEUhoMoWKuvIFlW7NQkc-3OUm-Fohtdh0xyhqZ0JkMSrQUXPpOP5JOYoa1bXZ0L_3c4fAidUzKihGZXy1FtVs7bVzlihIUlG5M4PUA9WuQsKghNDlGPEMYiVmTkGJ04tySE0AD30McEN7DGrVltamPbBTYVdvo9ksZYpRvhQeFSu0E6TL8_vyKla_CLzSpiQ9bNpW43VocgXOBGeyu8kaZtwQ5ms_0GsGgU1t7hm8cJ1o0HK6TXpnGn6KgSKwdnu9pHL3e3z9OHaP50P5tO5pGMKfMRyHGSxzlheVqCUGkFUhXFOK2KmJWJoqWEUiQVjTMFcUaB5FnBGGWJLFMpVRX3Uba9K61xzkLFW6trYTecEt455Eu-d8g7h3zrMICXW3ANpamc1NBI-IWDxHScxwlNQkeykC7-n55qLzoJU_Pa-IBeb1EIGt40WL7DlbYgPVdG__XrDzK2onw</recordid><startdate>20210115</startdate><enddate>20210115</enddate><creator>Gonçalves, Guilherme R.</creator><creator>de Carvalho, Alexandre B.</creator><creator>Honorato, João</creator><creator>Oliveira, Katia M.</creator><creator>Correa, Rodrigo S.</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>BLEPL</scope><scope>DTL</scope><scope>HGBXW</scope><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0002-1127-6083</orcidid><orcidid>https://orcid.org/0000-0003-2783-0816</orcidid><orcidid>https://orcid.org/0000-0003-4749-0281</orcidid></search><sort><creationdate>20210115</creationdate><title>A new polymorph of six-coordinated bis(5,5′-dimethyl-2,2′-bipyridine) nitratocopper(II) nitrate and its DNA interactions</title><author>Gonçalves, Guilherme R. ; de Carvalho, Alexandre B. ; Honorato, João ; Oliveira, Katia M. ; Correa, Rodrigo S.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c312t-ec947370275bead5fecd8895f832b4d1bceba4f136de361e076822124cb5ccdf3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chemistry</topic><topic>Chemistry, Physical</topic><topic>Copper(II)</topic><topic>Diimine ligand</topic><topic>DNA interaction</topic><topic>Infrared</topic><topic>Physical Sciences</topic><topic>Polymorphism</topic><topic>Science & Technology</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Gonçalves, Guilherme R.</creatorcontrib><creatorcontrib>de Carvalho, Alexandre B.</creatorcontrib><creatorcontrib>Honorato, João</creatorcontrib><creatorcontrib>Oliveira, Katia M.</creatorcontrib><creatorcontrib>Correa, Rodrigo S.</creatorcontrib><collection>Web of Science Core Collection</collection><collection>Science Citation Index Expanded</collection><collection>Web of Science - Science Citation Index Expanded - 2021</collection><collection>CrossRef</collection><jtitle>Journal of molecular structure</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Gonçalves, Guilherme R.</au><au>de Carvalho, Alexandre B.</au><au>Honorato, João</au><au>Oliveira, Katia M.</au><au>Correa, Rodrigo S.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A new polymorph of six-coordinated bis(5,5′-dimethyl-2,2′-bipyridine) nitratocopper(II) nitrate and its DNA interactions</atitle><jtitle>Journal of molecular structure</jtitle><stitle>J MOL STRUCT</stitle><date>2021-01-15</date><risdate>2021</risdate><volume>1224</volume><spage>129035</spage><pages>129035-</pages><artnum>129035</artnum><issn>0022-2860</issn><eissn>1872-8014</eissn><abstract>•A new polymorph of Cu(II) based complex was obtained (Form II).•Spectroscopic and X-ray studies were carried out.•In the six-coordinate Form II the nitrate is bidentate.•The complex interact with DNA moderately.
Here, we present a new polymorph of the [Cu(5mebipy)(NO3)]NO3 complex (1, Form II), where 5mebipy means 5,5′-dimethyl-2,2′-bipyridine. The copper(II) complex 1 was characterized by spectroscopic techniques and single-crystal X-ray diffraction. The Form II presents a six-coordinated structure, meanwhile the Form I, previously reported, is five-coordinated with the nitrate ligand as monodentate. The molecular structures of both crystalline forms were compared based on intramolecular aspects using Kleywegt's analysis and the intermolecular contacts evaluated by Hirshfeld surface studies. Moreover, the interaction of the complex [Cu(5mebipy)(NO3)]+ with CT-DNA was carried out using viscosity and spectrophotometric titrations, exhibiting a binding constant of 2.57 × 104 M − 1. This study contributes to explore the intra and intermolecular details of the new polymorph of the complex [Cu(5mebipy)(NO3)]NO3 and its capability to interacts with CT-DNA.
[Display omitted]</abstract><cop>AMSTERDAM</cop><pub>Elsevier B.V</pub><doi>10.1016/j.molstruc.2020.129035</doi><tpages>8</tpages><orcidid>https://orcid.org/0000-0002-1127-6083</orcidid><orcidid>https://orcid.org/0000-0003-2783-0816</orcidid><orcidid>https://orcid.org/0000-0003-4749-0281</orcidid></addata></record> |
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subjects | Chemistry Chemistry, Physical Copper(II) Diimine ligand DNA interaction Infrared Physical Sciences Polymorphism Science & Technology |
title | A new polymorph of six-coordinated bis(5,5′-dimethyl-2,2′-bipyridine) nitratocopper(II) nitrate and its DNA interactions |
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