Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2H-pyrido-[1,2-a]pyrimidine-7,9-dicarbonitrile

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Atıf İçin Kopyala

Naghiyev F. N., Tereshina T. A., Khrustalev V. N., AKKURT M., Khalilov A. N., Akobirshoeva A. A., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.512-520, 2021 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 77
• Basım Tarihi: 2021
• Doi Numarası: 10.1107/s2056989021003625
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.512-520
• Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C16H15N5, the 1,4-dihydropyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N-H center dot center dot center dot N hydrogen bonds generate centrosymmetric dimers featuring R-2(2)(12) motifs and C-H center dot center dot center dot N contacts connect these dimers to form double layers lying parallel to (001). Weak C-H center dot center dot center dot pi and N-H center dot center dot center dot pi interactions help to consolidate the double layers and van derWaals interactions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H center dot center dot center dot H (38.5%), N center dot center dot center dot H/H center dot center dot center dot N (33.3%) and C center dot center dot center dot H/H center dot center dot center dot C (27.3%) contacts.