The compound N-(5-(4-chlorobenzyl)-1,3,5-triazinan-2-ylidene)nitramide (C₁₀H₁₂ClN₅O₂, M = 269.70) was synthesized and structurally confirmed by ¹H NMR, ¹³C NMR, HRMS and single-crystal x-ray diffraction. The crystal belongs to the monoclinic system with space group P2₁/c. The title compound consisted of a benzene ring and a 1,3,5-triazine ring. All carbon atoms in the benzene ring were nearly coplanar with a dihedral (C6–C5–C10 and C7–C8–C9) angle of 1.71°and all non-hydrogen atoms of the 1,3,5-triazine ring were not planar, but exhibited a half-chair conformation. The crystal structure was stabilized by a strong intramolecular hydrogen bonding interaction N(3)–H(3)···O(2) and three intermolecular hydrogen bonding interactions, N(2)–H(2)···O(1), N(2)–H(2)···N(4) and N(3)–H(3)···Cl(1). The preliminary bioassay showed that the title compound showed not only aphicidal activity against Sitobion miscanthi (inhibition rate: 74.1%) and Schizaphis graminum (77.5%), but also antifungal activities against Pythium aphanidermatum (62.0%). These results provide valuable guidelines for the design and synthesis of novel aphid control agents and fungicides.

中文翻译：

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N-（5-（4-氯苄基）-1,3,5-Triazinan-2-Yylne）Nitramide的合成，晶体结构和生物活性

合成了化合物N-（5-（4-氯苄基）-1,3,5-三嗪基-2-亚烷基）硝酰胺（C ₁₀ H ₁₂ ClN ₅ O ₂，M = 269.70），并通过¹ H NMR进行结构确认，¹³ C NMR，HRMS和单晶X射线衍射。晶体属于空间群P 2 ₁ / c的单斜晶系。。标题化合物由苯环和1,3,5-三嗪环组成。苯环中的所有碳原子几乎与1.71°的二面角（C6-C5-C10和C7-C8-C9）共面，并且1,3,5-三嗪环的所有非氢原子都不是平面的，但呈现出半椅子的构型。通过强大的分子内氢键相互作用N（3）–H（3）··O（2）和三个分子间氢键相互作用N（2）–H（2）···O（1）稳定了晶体结构），N（2）–H（2）··N（4）和N（3）–H（3）··Cl（1）。初步的生物分析表明，该标题化合物不仅显示出对米托五味子（Sitobion miscanthi）的抑制作用（抑制率：74.1％）和对Schizaphis graminum的抑制作用（77.5％），而且还显示了对瓜果腐霉的抗真菌活性。（62.0％）。这些结果为新型蚜虫防治剂和杀真菌剂的设计和合成提供了有价值的指导。