Crystal structure and Hirshfeld surface analysis of dimethyl (1 R ,3a S ,3a 1 R ,6a S ,9 R ,9a S )-3a 1 ,5,6,9a-tetra-hydro-1 H ,4 H ,9 H -1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate
The title di-epoxy-phenalene derivative, C H O , comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, an...
Gespeichert in:
| Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2019-04, Vol.75 (Pt 4), p.460 |
|---|---|
| Hauptverfasser: | , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | Pt 4 |
| container_start_page | 460 |
| container_title | Acta crystallographica. Section E, Crystallographic communications |
| container_volume | 75 |
| creator | Alekseeva, Kseniia A Raspertov, Pavel V Çelikesir, Sevim Türktekin Akkurt, Mehmet Toze, Flavien A A Sorokina, Elena A |
| description | The title di-epoxy-phenalene derivative, C
H
O
, comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered cyclo-hexane ring adopts a distorted chair conformation. Two methyl carboxyl-ate groups occupy adjacent positions (2- and 3-) on a tetra-hydro-furan ring. In the crystal, two pairs of C-H⋯O hydrogen bonds link the mol-ecules to form inversion dimers, enclosing two
(6) ring motifs, that stack along the
-axis direction and are arranged in layers parallel to the
plane. |
| doi_str_mv | 10.1107/S2056989019003499 |
| format | Article |
| fullrecord | <record><control><sourceid>pubmed</sourceid><recordid>TN_cdi_pubmed_primary_31161057</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>31161057</sourcerecordid><originalsourceid>FETCH-pubmed_primary_311610573</originalsourceid><addsrcrecordid>eNqFj8FKxDAQhoMo7qL7AF5kjgoZTZo2a7wuSs-u9yXbpLTSbkuSgnk2X86mKHjz8s__fzPMMITccPbAOds-7jNWSPWkGFeMiVypM7JOCBM7_-NXZOP9B2OM54WQRXZJVoJzyVmxXZOvnYs-6A58cFMVJmdBnwyUrfNNbTsDfnK1rhLVXfSth6EG0_Y2NLGDOw5vQIWG_aJLkktSyapk73Hp0ILKGWCwwWlsonEDciiB5knULMjnHc9SU4WmRTsOnxHHxs537cliRkXClXbHudGhDvaaXNS683bzU6_I7evL-67EcTr21hxG1_baxcPvt-LfgW-dR1-5</addsrcrecordid><sourcetype>Index Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Crystal structure and Hirshfeld surface analysis of dimethyl (1 R ,3a S ,3a 1 R ,6a S ,9 R ,9a S )-3a 1 ,5,6,9a-tetra-hydro-1 H ,4 H ,9 H -1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate</title><source>PubMed (Medline)</source><source>Full-Text Journals in Chemistry (Open access)</source><source>DOAJ Directory of Open Access Journals</source><source>PubMed Central Open Access</source><creator>Alekseeva, Kseniia A ; Raspertov, Pavel V ; Çelikesir, Sevim Türktekin ; Akkurt, Mehmet ; Toze, Flavien A A ; Sorokina, Elena A</creator><creatorcontrib>Alekseeva, Kseniia A ; Raspertov, Pavel V ; Çelikesir, Sevim Türktekin ; Akkurt, Mehmet ; Toze, Flavien A A ; Sorokina, Elena A</creatorcontrib><description>The title di-epoxy-phenalene derivative, C
H
O
, comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered cyclo-hexane ring adopts a distorted chair conformation. Two methyl carboxyl-ate groups occupy adjacent positions (2- and 3-) on a tetra-hydro-furan ring. In the crystal, two pairs of C-H⋯O hydrogen bonds link the mol-ecules to form inversion dimers, enclosing two
(6) ring motifs, that stack along the
-axis direction and are arranged in layers parallel to the
plane.</description><identifier>ISSN: 2056-9890</identifier><identifier>EISSN: 2056-9890</identifier><identifier>DOI: 10.1107/S2056989019003499</identifier><identifier>PMID: 31161057</identifier><language>eng</language><publisher>England</publisher><ispartof>Acta crystallographica. Section E, Crystallographic communications, 2019-04, Vol.75 (Pt 4), p.460</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0003-2421-0929</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,860,27903,27904</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/31161057$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Alekseeva, Kseniia A</creatorcontrib><creatorcontrib>Raspertov, Pavel V</creatorcontrib><creatorcontrib>Çelikesir, Sevim Türktekin</creatorcontrib><creatorcontrib>Akkurt, Mehmet</creatorcontrib><creatorcontrib>Toze, Flavien A A</creatorcontrib><creatorcontrib>Sorokina, Elena A</creatorcontrib><title>Crystal structure and Hirshfeld surface analysis of dimethyl (1 R ,3a S ,3a 1 R ,6a S ,9 R ,9a S )-3a 1 ,5,6,9a-tetra-hydro-1 H ,4 H ,9 H -1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate</title><title>Acta crystallographica. Section E, Crystallographic communications</title><addtitle>Acta Crystallogr E Crystallogr Commun</addtitle><description>The title di-epoxy-phenalene derivative, C
H
O
, comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered cyclo-hexane ring adopts a distorted chair conformation. Two methyl carboxyl-ate groups occupy adjacent positions (2- and 3-) on a tetra-hydro-furan ring. In the crystal, two pairs of C-H⋯O hydrogen bonds link the mol-ecules to form inversion dimers, enclosing two
(6) ring motifs, that stack along the
-axis direction and are arranged in layers parallel to the
plane.</description><issn>2056-9890</issn><issn>2056-9890</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNqFj8FKxDAQhoMo7qL7AF5kjgoZTZo2a7wuSs-u9yXbpLTSbkuSgnk2X86mKHjz8s__fzPMMITccPbAOds-7jNWSPWkGFeMiVypM7JOCBM7_-NXZOP9B2OM54WQRXZJVoJzyVmxXZOvnYs-6A58cFMVJmdBnwyUrfNNbTsDfnK1rhLVXfSth6EG0_Y2NLGDOw5vQIWG_aJLkktSyapk73Hp0ILKGWCwwWlsonEDciiB5knULMjnHc9SU4WmRTsOnxHHxs537cliRkXClXbHudGhDvaaXNS683bzU6_I7evL-67EcTr21hxG1_baxcPvt-LfgW-dR1-5</recordid><startdate>20190401</startdate><enddate>20190401</enddate><creator>Alekseeva, Kseniia A</creator><creator>Raspertov, Pavel V</creator><creator>Çelikesir, Sevim Türktekin</creator><creator>Akkurt, Mehmet</creator><creator>Toze, Flavien A A</creator><creator>Sorokina, Elena A</creator><scope>NPM</scope><orcidid>https://orcid.org/0000-0003-2421-0929</orcidid></search><sort><creationdate>20190401</creationdate><title>Crystal structure and Hirshfeld surface analysis of dimethyl (1 R ,3a S ,3a 1 R ,6a S ,9 R ,9a S )-3a 1 ,5,6,9a-tetra-hydro-1 H ,4 H ,9 H -1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate</title><author>Alekseeva, Kseniia A ; Raspertov, Pavel V ; Çelikesir, Sevim Türktekin ; Akkurt, Mehmet ; Toze, Flavien A A ; Sorokina, Elena A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-pubmed_primary_311610573</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Alekseeva, Kseniia A</creatorcontrib><creatorcontrib>Raspertov, Pavel V</creatorcontrib><creatorcontrib>Çelikesir, Sevim Türktekin</creatorcontrib><creatorcontrib>Akkurt, Mehmet</creatorcontrib><creatorcontrib>Toze, Flavien A A</creatorcontrib><creatorcontrib>Sorokina, Elena A</creatorcontrib><collection>PubMed</collection><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Alekseeva, Kseniia A</au><au>Raspertov, Pavel V</au><au>Çelikesir, Sevim Türktekin</au><au>Akkurt, Mehmet</au><au>Toze, Flavien A A</au><au>Sorokina, Elena A</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal structure and Hirshfeld surface analysis of dimethyl (1 R ,3a S ,3a 1 R ,6a S ,9 R ,9a S )-3a 1 ,5,6,9a-tetra-hydro-1 H ,4 H ,9 H -1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate</atitle><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle><addtitle>Acta Crystallogr E Crystallogr Commun</addtitle><date>2019-04-01</date><risdate>2019</risdate><volume>75</volume><issue>Pt 4</issue><spage>460</spage><pages>460-</pages><issn>2056-9890</issn><eissn>2056-9890</eissn><abstract>The title di-epoxy-phenalene derivative, C
H
O
, comprises a fused cyclic system containing four five-membered rings (two di-hydro-furan and two tetra-hydro-furan) and one six-membered ring (cyclo-hexa-ne). The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered cyclo-hexane ring adopts a distorted chair conformation. Two methyl carboxyl-ate groups occupy adjacent positions (2- and 3-) on a tetra-hydro-furan ring. In the crystal, two pairs of C-H⋯O hydrogen bonds link the mol-ecules to form inversion dimers, enclosing two
(6) ring motifs, that stack along the
-axis direction and are arranged in layers parallel to the
plane.</abstract><cop>England</cop><pmid>31161057</pmid><doi>10.1107/S2056989019003499</doi><orcidid>https://orcid.org/0000-0003-2421-0929</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2056-9890 |
| ispartof | Acta crystallographica. Section E, Crystallographic communications, 2019-04, Vol.75 (Pt 4), p.460 |
| issn | 2056-9890 2056-9890 |
| language | eng |
| recordid | cdi_pubmed_primary_31161057 |
| source | PubMed (Medline); Full-Text Journals in Chemistry (Open access); DOAJ Directory of Open Access Journals; PubMed Central Open Access |
| title | Crystal structure and Hirshfeld surface analysis of dimethyl (1 R ,3a S ,3a 1 R ,6a S ,9 R ,9a S )-3a 1 ,5,6,9a-tetra-hydro-1 H ,4 H ,9 H -1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-22T20%3A12%3A44IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-pubmed&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Crystal%20structure%20and%20Hirshfeld%20surface%20analysis%20of%20dimethyl%20(1%20R%20,3a%20S%20,3a%201%20R%20,6a%20S%20,9%20R%20,9a%20S%20)-3a%201%20,5,6,9a-tetra-hydro-1%20H%20,4%20H%20,9%20H%20-1,3a:6a,9-di-epoxy-phenalene-2,3-di-carboxyl-ate&rft.jtitle=Acta%20crystallographica.%20Section%20E,%20Crystallographic%20communications&rft.au=Alekseeva,%20Kseniia%20A&rft.date=2019-04-01&rft.volume=75&rft.issue=Pt%204&rft.spage=460&rft.pages=460-&rft.issn=2056-9890&rft.eissn=2056-9890&rft_id=info:doi/10.1107/S2056989019003499&rft_dat=%3Cpubmed%3E31161057%3C/pubmed%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/31161057&rfr_iscdi=true |