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2-{2-[4-(4-氟苯基)哌嗪-1-基]-2-氧代乙基}-6-(吗啉-4-基)-4-苯基哒嗪-3(2H)-酮

2-{2-[4-(4-Fluoro-phen-yl)piperazin-1-yl]-2-oxoeth-yl}-6-(morpholin-4-yl)-4-phenyl-pyridazin-3(2H)-one.

作者信息

Aydın Abdullah, Süküroğlu Murat, Akkurt Mehmet, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 19;67(Pt 3):o666-7. doi: 10.1107/S1600536811005071.

Abstract

In the title compound, C(26)H(28)FN(5)O(3), the morpholine ring adopts a chair conformation. The piperazine ring is puckered [Q(T) = 0.5437 (15) Å, θ = 8.89 (15) and ϕ = 357.2 (11)°]. The 1,6-dihydro-pyridazine ring makes dihedral angles of 28.03 (7) and 77.46 (7)° with the phenyl and benzene rings, respectively. In the crystal, mol-ecules are linked along the c axis by C-H⋯O inter-actions and are flattened parallel to the ac plane. C-H⋯π inter-actions also contribute to the stability of the structure.

摘要

在标题化合物C(26)H(28)FN(5)O(3)中,吗啉环呈椅式构象。哌嗪环呈扭曲状[Q(T)=0.5437 (15) Å,θ=8.89 (15),ϕ=357.2 (11)°]。1,6-二氢哒嗪环与苯环和苯基分别形成28.03 (7)°和77.46 (7)°的二面角。在晶体中,分子沿c轴通过C-H⋯O相互作用相连,并在与ac平面平行的方向上呈扁平状。C-H⋯π相互作用也有助于结构的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/7c581202da8f/e-67-0o666-fig1.jpg

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