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Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones
The four compounds, namely: 5-nitro-2-furaldehyde thiosemicarbazone ( ); 5-nitro-2-thiophene thiosemicarbazone ( ); 5-nitro-2-furaldehyde semicarbazone ( ); and 5-nitro-2-thiophene semicarbazone ( ) were synthesized and crystallized. The three new crystal structures of , , and were determined and co...
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| Published in: | Molecules (Basel, Switzerland) Switzerland), 2020-02, Vol.25 (4), p.993 |
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| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c493t-3f7a41e4143520162304a61944fa5cf25bd3a52ea43dfb6b95992a7f4b650e713 |
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| cites | cdi_FETCH-LOGICAL-c493t-3f7a41e4143520162304a61944fa5cf25bd3a52ea43dfb6b95992a7f4b650e713 |
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| container_issue | 4 |
| container_start_page | 993 |
| container_title | Molecules (Basel, Switzerland) |
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| creator | Swiatkowski, Marcin Trzesowska-Kruszynska, Agata Danielewicz, Agnieszka Sobczak, Paulina Kruszynski, Rafal |
| description | The four compounds, namely: 5-nitro-2-furaldehyde thiosemicarbazone (
); 5-nitro-2-thiophene thiosemicarbazone (
); 5-nitro-2-furaldehyde semicarbazone (
); and 5-nitro-2-thiophene semicarbazone (
) were synthesized and crystallized. The three new crystal structures of
,
, and
were determined and compared to three already known crystal structures of
. Additionally, two new polymorphic forms of
solvate were synthesized and studied. The influence of the exchange of 2-thiophene to 2-furaldehyde as well as thiosemicarbazone and semicarbazone on the self-assembly of supramolecular nets was elucidated and discussed in terms of the formed synthons and assemblies accompanied by Full Interaction Maps analysis. Changes in the strength of IR oscillators caused by the molecular and crystal packing effects are described and explained in terms of changes of electron density. |
| doi_str_mv | 10.3390/molecules25040993 |
| format | article |
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); 5-nitro-2-thiophene thiosemicarbazone (
); 5-nitro-2-furaldehyde semicarbazone (
); and 5-nitro-2-thiophene semicarbazone (
) were synthesized and crystallized. The three new crystal structures of
,
, and
were determined and compared to three already known crystal structures of
. Additionally, two new polymorphic forms of
solvate were synthesized and studied. The influence of the exchange of 2-thiophene to 2-furaldehyde as well as thiosemicarbazone and semicarbazone on the self-assembly of supramolecular nets was elucidated and discussed in terms of the formed synthons and assemblies accompanied by Full Interaction Maps analysis. Changes in the strength of IR oscillators caused by the molecular and crystal packing effects are described and explained in terms of changes of electron density.</description><identifier>ISSN: 1420-3049</identifier><identifier>EISSN: 1420-3049</identifier><identifier>DOI: 10.3390/molecules25040993</identifier><identifier>PMID: 32102204</identifier><language>eng</language><publisher>Switzerland: MDPI AG</publisher><subject>Crystal structure ; Crystallization ; Electron density ; Hydrogen bonds ; isostructurality ; Molecular structure ; Oscillators ; Polymorphism ; Self-assembly ; semicarbazone ; thiosemicarbazone</subject><ispartof>Molecules (Basel, Switzerland), 2020-02, Vol.25 (4), p.993</ispartof><rights>2020. This work is licensed under http://creativecommons.org/licenses/by/3.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>2020 by the authors. 2020</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c493t-3f7a41e4143520162304a61944fa5cf25bd3a52ea43dfb6b95992a7f4b650e713</citedby><cites>FETCH-LOGICAL-c493t-3f7a41e4143520162304a61944fa5cf25bd3a52ea43dfb6b95992a7f4b650e713</cites><orcidid>0000-0003-4362-0499</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.proquest.com/docview/2367413096/fulltextPDF?pq-origsite=primo$$EPDF$$P50$$Gproquest$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.proquest.com/docview/2367413096?pq-origsite=primo$$EHTML$$P50$$Gproquest$$Hfree_for_read</linktohtml><link.rule.ids>230,314,727,780,784,885,25753,27924,27925,37012,37013,44590,53791,53793,75126</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/32102204$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Swiatkowski, Marcin</creatorcontrib><creatorcontrib>Trzesowska-Kruszynska, Agata</creatorcontrib><creatorcontrib>Danielewicz, Agnieszka</creatorcontrib><creatorcontrib>Sobczak, Paulina</creatorcontrib><creatorcontrib>Kruszynski, Rafal</creatorcontrib><title>Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones</title><title>Molecules (Basel, Switzerland)</title><addtitle>Molecules</addtitle><description>The four compounds, namely: 5-nitro-2-furaldehyde thiosemicarbazone (
); 5-nitro-2-thiophene thiosemicarbazone (
); 5-nitro-2-furaldehyde semicarbazone (
); and 5-nitro-2-thiophene semicarbazone (
) were synthesized and crystallized. The three new crystal structures of
,
, and
were determined and compared to three already known crystal structures of
. Additionally, two new polymorphic forms of
solvate were synthesized and studied. The influence of the exchange of 2-thiophene to 2-furaldehyde as well as thiosemicarbazone and semicarbazone on the self-assembly of supramolecular nets was elucidated and discussed in terms of the formed synthons and assemblies accompanied by Full Interaction Maps analysis. Changes in the strength of IR oscillators caused by the molecular and crystal packing effects are described and explained in terms of changes of electron density.</description><subject>Crystal structure</subject><subject>Crystallization</subject><subject>Electron density</subject><subject>Hydrogen bonds</subject><subject>isostructurality</subject><subject>Molecular structure</subject><subject>Oscillators</subject><subject>Polymorphism</subject><subject>Self-assembly</subject><subject>semicarbazone</subject><subject>thiosemicarbazone</subject><issn>1420-3049</issn><issn>1420-3049</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><sourceid>PIMPY</sourceid><sourceid>DOA</sourceid><recordid>eNplkk1v1DAQhi0EomXhB3BBkbhwCfg76wsSqiisVKmVupwtx540Xjnx1nZA4dcTdkvVlpPHnnceeWZehN4S_JExhT8NMYCdAmQqMMdKsWfolHCKa4a5ev4gPkGvct5hTAkn4iU6YZRgSjE_RbebsUDaBzNXLZRfAGN1FcM8xLTvfR4qM7pqk2MuabJlSib4Mld-rEoPFa3Pp1QfJLTe9jCa4KCfHVTXMPhjYtv7mJebNak1v-MI-TV60ZmQ4c3duUI_zr9uz77XF5ffNmdfLmrLFSs16xrDCXDCmaCYSLr0YSRRnHdG2I6K1jEjKBjOXNfKVgmlqGk63kqBoSFshTZHrotmp_fJDybNOhqvDw8x3WiTircBNLctuDU4ydbArRKG47V1DTTKrVkjYGF9PrL2UzuAszCWZRSPoI8zo-_1TfypG9xgKcUC-HAHSPF2glz04LOFEMwIccqaMiklx2zZ4Qq9fyLdxSktsz2oGk4YVnJRkaPKpphzgu7-MwTrv-bQ_5ljqXn3sIv7in9uYH8AsrC4pw</recordid><startdate>20200223</startdate><enddate>20200223</enddate><creator>Swiatkowski, Marcin</creator><creator>Trzesowska-Kruszynska, Agata</creator><creator>Danielewicz, Agnieszka</creator><creator>Sobczak, Paulina</creator><creator>Kruszynski, Rafal</creator><general>MDPI AG</general><general>MDPI</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7X7</scope><scope>7XB</scope><scope>88E</scope><scope>8FI</scope><scope>8FJ</scope><scope>8FK</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>FYUFA</scope><scope>GHDGH</scope><scope>K9.</scope><scope>M0S</scope><scope>M1P</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>7X8</scope><scope>5PM</scope><scope>DOA</scope><orcidid>https://orcid.org/0000-0003-4362-0499</orcidid></search><sort><creationdate>20200223</creationdate><title>Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones</title><author>Swiatkowski, Marcin ; Trzesowska-Kruszynska, Agata ; Danielewicz, Agnieszka ; Sobczak, Paulina ; Kruszynski, Rafal</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c493t-3f7a41e4143520162304a61944fa5cf25bd3a52ea43dfb6b95992a7f4b650e713</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Crystal structure</topic><topic>Crystallization</topic><topic>Electron density</topic><topic>Hydrogen bonds</topic><topic>isostructurality</topic><topic>Molecular structure</topic><topic>Oscillators</topic><topic>Polymorphism</topic><topic>Self-assembly</topic><topic>semicarbazone</topic><topic>thiosemicarbazone</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Swiatkowski, Marcin</creatorcontrib><creatorcontrib>Trzesowska-Kruszynska, Agata</creatorcontrib><creatorcontrib>Danielewicz, Agnieszka</creatorcontrib><creatorcontrib>Sobczak, Paulina</creatorcontrib><creatorcontrib>Kruszynski, Rafal</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Health & Medical Collection</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>Medical Database (Alumni Edition)</collection><collection>Hospital Premium Collection</collection><collection>Hospital Premium Collection (Alumni Edition)</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>ProQuest Central (Alumni)</collection><collection>ProQuest Central</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>Health Research Premium Collection</collection><collection>Health Research Premium Collection (Alumni)</collection><collection>ProQuest Health & Medical Complete (Alumni)</collection><collection>Health & Medical Collection (Alumni Edition)</collection><collection>PML(ProQuest Medical Library)</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>Molecules (Basel, Switzerland)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Swiatkowski, Marcin</au><au>Trzesowska-Kruszynska, Agata</au><au>Danielewicz, Agnieszka</au><au>Sobczak, Paulina</au><au>Kruszynski, Rafal</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones</atitle><jtitle>Molecules (Basel, Switzerland)</jtitle><addtitle>Molecules</addtitle><date>2020-02-23</date><risdate>2020</risdate><volume>25</volume><issue>4</issue><spage>993</spage><pages>993-</pages><issn>1420-3049</issn><eissn>1420-3049</eissn><abstract>The four compounds, namely: 5-nitro-2-furaldehyde thiosemicarbazone (
); 5-nitro-2-thiophene thiosemicarbazone (
); 5-nitro-2-furaldehyde semicarbazone (
); and 5-nitro-2-thiophene semicarbazone (
) were synthesized and crystallized. The three new crystal structures of
,
, and
were determined and compared to three already known crystal structures of
. Additionally, two new polymorphic forms of
solvate were synthesized and studied. The influence of the exchange of 2-thiophene to 2-furaldehyde as well as thiosemicarbazone and semicarbazone on the self-assembly of supramolecular nets was elucidated and discussed in terms of the formed synthons and assemblies accompanied by Full Interaction Maps analysis. Changes in the strength of IR oscillators caused by the molecular and crystal packing effects are described and explained in terms of changes of electron density.</abstract><cop>Switzerland</cop><pub>MDPI AG</pub><pmid>32102204</pmid><doi>10.3390/molecules25040993</doi><orcidid>https://orcid.org/0000-0003-4362-0499</orcidid><oa>free_for_read</oa></addata></record> |
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| ispartof | Molecules (Basel, Switzerland), 2020-02, Vol.25 (4), p.993 |
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| source | Publicly Available Content Database; PubMed Central |
| subjects | Crystal structure Crystallization Electron density Hydrogen bonds isostructurality Molecular structure Oscillators Polymorphism Self-assembly semicarbazone thiosemicarbazone |
| title | Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones |
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