Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile
The central tetra-hydro-pyridine ring of the title compound, C H N O , adopts a screw-boat conformation. In the crystal, strong C-H⋯O and N-H⋯N hydrogen bonds form dimers with (14) and (12) ring motifs, respectively, between consecutive mol-ecules along the -axis direction. Inter-molecular N-H⋯O and...
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| Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-02, Vol.78 (Pt 3), p.330-335 |
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| container_issue | Pt 3 |
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| container_title | Acta crystallographica. Section E, Crystallographic communications |
| container_volume | 78 |
| creator | Asadov, Khammed A Khrustalev, Victor N Dobrokhotova, Ekaterina V Akkurt, Mehmet Huseynova, Afet T Akobirshoeva, Anzurat A Huseynov, Elnur Z |
| description | The central tetra-hydro-pyridine ring of the title compound, C
H
N
O
, adopts a screw-boat conformation. In the crystal, strong C-H⋯O and N-H⋯N hydrogen bonds form dimers with
(14) and
(12) ring motifs, respectively, between consecutive mol-ecules along the
-axis direction. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds connect these dimers, forming a three-dimensional network. C-H⋯π inter-actions and π-π stacking inter-actions contribute to the stabilization of the mol-ecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are H⋯H (47.1%), C⋯H/H⋯C (20.9%), O⋯H/H⋯O (15.3%) and N⋯H/H⋯N (11.4%). |
| doi_str_mv | 10.1107/S205698902200175X |
| format | Article |
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H
N
O
, adopts a screw-boat conformation. In the crystal, strong C-H⋯O and N-H⋯N hydrogen bonds form dimers with
(14) and
(12) ring motifs, respectively, between consecutive mol-ecules along the
-axis direction. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds connect these dimers, forming a three-dimensional network. C-H⋯π inter-actions and π-π stacking inter-actions contribute to the stabilization of the mol-ecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are H⋯H (47.1%), C⋯H/H⋯C (20.9%), O⋯H/H⋯O (15.3%) and N⋯H/H⋯N (11.4%).</description><identifier>ISSN: 2056-9890</identifier><identifier>EISSN: 2056-9890</identifier><identifier>DOI: 10.1107/S205698902200175X</identifier><identifier>PMID: 35371539</identifier><language>eng</language><publisher>England: International Union of Crystallography</publisher><subject>Research Communications</subject><ispartof>Acta crystallographica. Section E, Crystallographic communications, 2022-02, Vol.78 (Pt 3), p.330-335</ispartof><rights>Asadov et al. 2022.</rights><rights>Asadov et al. 2022 2022</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0003-2421-0929</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8900505/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8900505/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,315,728,781,785,865,886,27929,27930,53796,53798</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/35371539$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Asadov, Khammed A</creatorcontrib><creatorcontrib>Khrustalev, Victor N</creatorcontrib><creatorcontrib>Dobrokhotova, Ekaterina V</creatorcontrib><creatorcontrib>Akkurt, Mehmet</creatorcontrib><creatorcontrib>Huseynova, Afet T</creatorcontrib><creatorcontrib>Akobirshoeva, Anzurat A</creatorcontrib><creatorcontrib>Huseynov, Elnur Z</creatorcontrib><title>Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile</title><title>Acta crystallographica. Section E, Crystallographic communications</title><addtitle>Acta Crystallogr E Crystallogr Commun</addtitle><description>The central tetra-hydro-pyridine ring of the title compound, C
H
N
O
, adopts a screw-boat conformation. In the crystal, strong C-H⋯O and N-H⋯N hydrogen bonds form dimers with
(14) and
(12) ring motifs, respectively, between consecutive mol-ecules along the
-axis direction. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds connect these dimers, forming a three-dimensional network. C-H⋯π inter-actions and π-π stacking inter-actions contribute to the stabilization of the mol-ecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are H⋯H (47.1%), C⋯H/H⋯C (20.9%), O⋯H/H⋯O (15.3%) and N⋯H/H⋯N (11.4%).</description><subject>Research Communications</subject><issn>2056-9890</issn><issn>2056-9890</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNpVUU1P3DAQtSpQQcAP6KXKEaQd8LfjSyW0KizSSj1Apd4ir-M0rpw4tRPU_Al-M9lCKzjNzJun90ZvEPpE8CUhWF3dUyykLjWmFGOixI8P6HgPwR47eNMfobOcf-GFxAWTgn5ER0wwRQTTx-hpneY8mlDkMU12nJIrTF8XG59y27hQF3lKjbF71IQ5-1zEpqBgOt9H4HDOoXNjC_HPDEPrepjDBchljED-AnMAsuIrsZIwujEZaOc6RRjm5GvfO2BgTdpF6P2YfHCn6LAxIbuz13qCvt98fVhvYPvt9m59vYWBECJAGiux0k4RbkyzJEBrLhpbUm0sVaVitWuYtbVjBivcWLYrcWmlXnIiWpWcnaAvL7rDtOtcbV2_3BaqIfnOpLmKxlfvN71vq5_xsVryxAKLReD8VSDF35PLY9X5bF0IpndxyhWVXGpOOdML9fNbr_8m_57AngGesorO</recordid><startdate>20220201</startdate><enddate>20220201</enddate><creator>Asadov, Khammed A</creator><creator>Khrustalev, Victor N</creator><creator>Dobrokhotova, Ekaterina V</creator><creator>Akkurt, Mehmet</creator><creator>Huseynova, Afet T</creator><creator>Akobirshoeva, Anzurat A</creator><creator>Huseynov, Elnur Z</creator><general>International Union of Crystallography</general><scope>NPM</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0003-2421-0929</orcidid></search><sort><creationdate>20220201</creationdate><title>Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile</title><author>Asadov, Khammed A ; Khrustalev, Victor N ; Dobrokhotova, Ekaterina V ; Akkurt, Mehmet ; Huseynova, Afet T ; Akobirshoeva, Anzurat A ; Huseynov, Elnur Z</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p1115-6ac6079e714aaf0222d45fc829ac27873def3ccde3a070fc3b808c69017197843</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Research Communications</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Asadov, Khammed A</creatorcontrib><creatorcontrib>Khrustalev, Victor N</creatorcontrib><creatorcontrib>Dobrokhotova, Ekaterina V</creatorcontrib><creatorcontrib>Akkurt, Mehmet</creatorcontrib><creatorcontrib>Huseynova, Afet T</creatorcontrib><creatorcontrib>Akobirshoeva, Anzurat A</creatorcontrib><creatorcontrib>Huseynov, Elnur Z</creatorcontrib><collection>PubMed</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Asadov, Khammed A</au><au>Khrustalev, Victor N</au><au>Dobrokhotova, Ekaterina V</au><au>Akkurt, Mehmet</au><au>Huseynova, Afet T</au><au>Akobirshoeva, Anzurat A</au><au>Huseynov, Elnur Z</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile</atitle><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle><addtitle>Acta Crystallogr E Crystallogr Commun</addtitle><date>2022-02-01</date><risdate>2022</risdate><volume>78</volume><issue>Pt 3</issue><spage>330</spage><epage>335</epage><pages>330-335</pages><issn>2056-9890</issn><eissn>2056-9890</eissn><abstract>The central tetra-hydro-pyridine ring of the title compound, C
H
N
O
, adopts a screw-boat conformation. In the crystal, strong C-H⋯O and N-H⋯N hydrogen bonds form dimers with
(14) and
(12) ring motifs, respectively, between consecutive mol-ecules along the
-axis direction. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds connect these dimers, forming a three-dimensional network. C-H⋯π inter-actions and π-π stacking inter-actions contribute to the stabilization of the mol-ecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are H⋯H (47.1%), C⋯H/H⋯C (20.9%), O⋯H/H⋯O (15.3%) and N⋯H/H⋯N (11.4%).</abstract><cop>England</cop><pub>International Union of Crystallography</pub><pmid>35371539</pmid><doi>10.1107/S205698902200175X</doi><tpages>6</tpages><orcidid>https://orcid.org/0000-0003-2421-0929</orcidid><oa>free_for_read</oa></addata></record> |
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| subjects | Research Communications |
| title | Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth-oxy-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile |
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