In the ten-membered 1,3,4,6-tetra-hydro-2H-pyrido[1,2-a]pyrimidine ring system of the title compound, C(17)H(15)N(5), the 1,2-di-hydro-pyridine ring is essentially planar (r.m.s. deviation = 0.001â à ), 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¯Ï 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.
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.
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作者:Naghiyev Farid N, Khrustalev Victor N, Akkurt Mehmet, Dobrokhotova Ekaterina V, Bhattarai Ajaya, Khalilov Ali N, Mamedov İbrahim G
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2024 | 起止号: | 2024 Mar 21; 80(Pt 4):378-382 |
| doi: | 10.1107/S2056989024002500 | ||
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