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 |
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| 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 |
| الوصف غير متاح. |