Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile

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Naghiyev F. N., Tereshina T. A., Khrustalev V. N., AKKURT M., Rzayev R., Akobirshoeva A. A., ...daha çox

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.516-521, 2021 (ESCI)

• Nəşrin Növü: Article / Article
• Cild: 77
• Nəşr tarixi: 2021
• Doi nömrəsi: 10.1107/s2056989021003583
• jurnalın adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Jurnalın baxıldığı indekslər: Emerging Sources Citation Index (ESCI), Scopus
• Səhifə sayı: pp.516-521
• Adres: Bəli

Qısa məlumat

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 center dot center dot center dot N and C-H center dot center dot center dot N hydrogen bonds form molecular sheets parallel to the (110) and ((1) over bar 10) planes, crossing each other. Adjacent molecules are further linked by C-H center dot center dot center dot pi 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 center dot center dot center dot H/H center dot center dot center dot N (28.4%), H center dot center dot center dot H (24.5%), C center dot center dot center dot H/H center dot center dot center dot C (21.4%) and Cl center dot center dot center dot H/H center dot center dot center dot Cl (16.1%) contacts.