Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile
| العنوان: | Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile |
|---|---|
| المؤلفون: | Farid N. Naghiyev, Tatiana A. Tereshina, Victor N. Khrustalev, Mehmet Akkurt, Rovnag M. Rzayev, Anzurat A. Akobirshoeva, İbrahim G. Mamedov |
| المصدر: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 5, Pp 516-521 (2021) |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Chemistry, crystal structure, 1,3,4,8-tetrahydro-2h-pyrido[1,2-a]pyrimidine, cycloaddition product, Hirshfeld surface analysis, General Materials Science, cycloaddition product, General Chemistry, Condensed Matter Physics, Condensed Matter::Mesoscopic Systems and Quantum Hall Effect, QD1-999, 1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine, Research Communications |
| الوصف: | In the crystal structure of the title compound, intermolecular N—H⋯N and C—H⋯N hydrogen bonds between the molecules lead to sheets extending parallel to the (110) and (10) planes. In the molecular structure of the title compound, C16H13Cl2N5, the 1,4-dihydropyridine ring of the 1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, intermolecular N—H⋯N and C—H⋯N hydrogen bonds form molecular sheets parallel to the (110) and (10) planes, crossing each other. Adjacent molecules are further linked by C—H⋯π interactions, which form zigzag chains propagating parallel to [100]. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from N⋯H/H⋯N (28.4%), H⋯H (24.5%), C⋯H/H⋯C (21.4%) and Cl⋯H/H⋯Cl (16.1%) contacts. |
| اللغة: | English |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f78ef9dbb7f18113fb9ac0f2560153c4 https://avesis.erciyes.edu.tr/publication/details/8e6837f3-3992-412b-b013-730a8dbd2950/oai |
| Rights: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....f78ef9dbb7f18113fb9ac0f2560153c4 |
| قاعدة البيانات: | OpenAIRE |
| ResultId |
1 |
|---|---|
| Header |
edsair OpenAIRE edsair.doi.dedup.....f78ef9dbb7f18113fb9ac0f2560153c4 851 3 unknown 850.723937988281 |
| PLink |
https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&scope=site&db=edsair&AN=edsair.doi.dedup.....f78ef9dbb7f18113fb9ac0f2560153c4&custid=s6537998&authtype=sso |
| FullText |
Array
(
[Availability] => 0
)
Array ( [0] => Array ( [Url] => https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f78ef9dbb7f18113fb9ac0f2560153c4# [Name] => EDS - OpenAIRE [Category] => fullText [Text] => View record in OpenAIRE [MouseOverText] => View record in OpenAIRE ) ) |
| Items |
Array
(
[Name] => Title
[Label] => Title
[Group] => Ti
[Data] => Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile
)
Array ( [Name] => Author [Label] => Authors [Group] => Au [Data] => <searchLink fieldCode="AR" term="%22Farid+N%2E+Naghiyev%22">Farid N. Naghiyev</searchLink><br /><searchLink fieldCode="AR" term="%22Tatiana+A%2E+Tereshina%22">Tatiana A. Tereshina</searchLink><br /><searchLink fieldCode="AR" term="%22Victor+N%2E+Khrustalev%22">Victor N. Khrustalev</searchLink><br /><searchLink fieldCode="AR" term="%22Mehmet+Akkurt%22">Mehmet Akkurt</searchLink><br /><searchLink fieldCode="AR" term="%22Rovnag+M%2E+Rzayev%22">Rovnag M. Rzayev</searchLink><br /><searchLink fieldCode="AR" term="%22Anzurat+A%2E+Akobirshoeva%22">Anzurat A. Akobirshoeva</searchLink><br /><searchLink fieldCode="AR" term="%22İbrahim+G%2E+Mamedov%22">İbrahim G. Mamedov</searchLink> ) Array ( [Name] => TitleSource [Label] => Source [Group] => Src [Data] => Acta Crystallographica Section E: Crystallographic Communications<br />Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 5, Pp 516-521 (2021) ) Array ( [Name] => DatePubCY [Label] => Publication Year [Group] => Date [Data] => 2021 ) Array ( [Name] => Subject [Label] => Subject Terms [Group] => Su [Data] => <searchLink fieldCode="DE" term="%22Chemistry%22">Chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22crystal+structure%22">crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%221%2C3%2C4%2C8-tetrahydro-2h-pyrido[1%2C2-a]pyrimidine%22">1,3,4,8-tetrahydro-2h-pyrido[1,2-a]pyrimidine</searchLink><br /><searchLink fieldCode="DE" term="%22cyclo­addition+product%22">cyclo­addition product</searchLink><br /><searchLink fieldCode="DE" term="%22Hirshfeld+surface+analysis%22">Hirshfeld surface analysis</searchLink><br /><searchLink fieldCode="DE" term="%22General+Materials+Science%22">General Materials Science</searchLink><br /><searchLink fieldCode="DE" term="%22cycloaddition+product%22">cycloaddition product</searchLink><br /><searchLink fieldCode="DE" term="%22General+Chemistry%22">General Chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22Condensed+Matter+Physics%22">Condensed Matter Physics</searchLink><br /><searchLink fieldCode="DE" term="%22Condensed+Matter%3A%3AMesoscopic+Systems+and+Quantum+Hall+Effect%22">Condensed Matter::Mesoscopic Systems and Quantum Hall Effect</searchLink><br /><searchLink fieldCode="DE" term="%22QD1-999%22">QD1-999</searchLink><br /><searchLink fieldCode="DE" term="%221%2C3%2C4%2C8-tetra­hydro-2H-pyrido[1%2C2-a]pyrimidine%22">1,3,4,8-tetra­hydro-2H-pyrido[1,2-a]pyrimidine</searchLink><br /><searchLink fieldCode="DE" term="%22Research+Communications%22">Research Communications</searchLink> ) Array ( [Name] => Abstract [Label] => Description [Group] => Ab [Data] => In the crystal structure of the title compound, inter­molecular N—H⋯N and C—H⋯N hydrogen bonds between the mol­ecules lead to sheets extending parallel to the (110) and (10) planes.<br />In the mol­ecular structure of the title compound, C16H13Cl2N5, the 1,4-di­hydro­pyridine ring of the 1,3,4,8-tetra­hydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter­molecular N—H⋯N and C—H⋯N hydrogen bonds form mol­ecular sheets parallel to the (110) and (10) planes, crossing each other. Adjacent mol­ecules are further linked by C—H⋯π inter­actions, which form zigzag chains propagating parallel to [100]. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from N⋯H/H⋯N (28.4%), H⋯H (24.5%), C⋯H/H⋯C (21.4%) and Cl⋯H/H⋯Cl (16.1%) contacts. ) Array ( [Name] => Language [Label] => Language [Group] => Lang [Data] => English ) Array ( [Name] => URL [Label] => Access URL [Group] => URL [Data] => <link linkTarget="URL" linkTerm="https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f78ef9dbb7f18113fb9ac0f2560153c4" linkWindow="_blank">https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f78ef9dbb7f18113fb9ac0f2560153c4</link><br /><link linkTarget="URL" linkTerm="https://avesis.erciyes.edu.tr/publication/details/8e6837f3-3992-412b-b013-730a8dbd2950/oai" linkWindow="_blank">https://avesis.erciyes.edu.tr/publication/details/8e6837f3-3992-412b-b013-730a8dbd2950/oai</link> ) Array ( [Name] => Copyright [Label] => Rights [Group] => Cpyrght [Data] => OPEN ) Array ( [Name] => AN [Label] => Accession Number [Group] => ID [Data] => edsair.doi.dedup.....f78ef9dbb7f18113fb9ac0f2560153c4 ) |
| RecordInfo |
Array
(
[BibEntity] => Array
(
[Languages] => Array
(
[0] => Array
(
[Text] => English
)
)
[Subjects] => Array
(
[0] => Array
(
[SubjectFull] => Chemistry
[Type] => general
)
[1] => Array
(
[SubjectFull] => crystal structure
[Type] => general
)
[2] => Array
(
[SubjectFull] => 1,3,4,8-tetrahydro-2h-pyrido[1,2-a]pyrimidine
[Type] => general
)
[3] => Array
(
[SubjectFull] => cycloaddition product
[Type] => general
)
[4] => Array
(
[SubjectFull] => Hirshfeld surface analysis
[Type] => general
)
[5] => Array
(
[SubjectFull] => General Materials Science
[Type] => general
)
[6] => Array
(
[SubjectFull] => cycloaddition product
[Type] => general
)
[7] => Array
(
[SubjectFull] => General Chemistry
[Type] => general
)
[8] => Array
(
[SubjectFull] => Condensed Matter Physics
[Type] => general
)
[9] => Array
(
[SubjectFull] => Condensed Matter::Mesoscopic Systems and Quantum Hall Effect
[Type] => general
)
[10] => Array
(
[SubjectFull] => QD1-999
[Type] => general
)
[11] => Array
(
[SubjectFull] => 1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine
[Type] => general
)
[12] => Array
(
[SubjectFull] => Research Communications
[Type] => general
)
)
[Titles] => Array
(
[0] => Array
(
[TitleFull] => Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile
[Type] => main
)
)
)
[BibRelationships] => Array
(
[HasContributorRelationships] => Array
(
[0] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Farid N. Naghiyev
)
)
)
[1] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Tatiana A. Tereshina
)
)
)
[2] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Victor N. Khrustalev
)
)
)
[3] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Mehmet Akkurt
)
)
)
[4] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Rovnag M. Rzayev
)
)
)
[5] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => Anzurat A. Akobirshoeva
)
)
)
[6] => Array
(
[PersonEntity] => Array
(
[Name] => Array
(
[NameFull] => İbrahim G. Mamedov
)
)
)
)
[IsPartOfRelationships] => Array
(
[0] => Array
(
[BibEntity] => Array
(
[Dates] => Array
(
[0] => Array
(
[D] => 01
[M] => 05
[Type] => published
[Y] => 2021
)
)
[Identifiers] => Array
(
[0] => Array
(
[Type] => issn-locals
[Value] => edsair
)
[1] => Array
(
[Type] => issn-locals
[Value] => edsairFT
)
)
)
)
)
)
)
|
| IllustrationInfo |