Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methyl-phen-yl)-1,3,4,6-tetra-hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo-nitrile.
Acta Crystallogr E Crystallogr Commun
; 80(Pt 4): 378-382, 2024 Mar 01.
Article
em En
| MEDLINE
| ID: mdl-38584730
ABSTRACT
In the ten-membered 1,3,4,6-tetra-hydro-2H-pyrido[1,2-a]pyrimidine ring system of the title compound, C17H15N5, the 1,2-di-hydro-pyridine ring is essentially planar (r.m.s. deviation = 0.001â
Å), while the 1,3-diazinane ring has a distorted twist-boat conformation. In the crystal, mol-ecules are linked by N-Hâ¯N and C-Hâ¯N hydrogen bonds, forming a three-dimensional network. In addition, C-Hâ¯π inter-actions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured. According to a Hirshfeld surface study, Hâ¯H (40.4%), Nâ¯H/Hâ¯N (28.6%) and Câ¯H/Hâ¯C (24.1%) inter-actions are the most important contributors to the crystal packing.
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