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首页> 外文期刊>Journal of chemical crystallography >Structural Characterization of Di- and Mono-Imidazolyl-Substituted 1,8-Naphthyridine Derivatives
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Structural Characterization of Di- and Mono-Imidazolyl-Substituted 1,8-Naphthyridine Derivatives

机译：二和单咪唑基取代的1,8-萘啶衍生物的结构表征

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Two imidazolyl derived 1,8-naphthyridine compounds (2,7-diimidazolyl-1,8-naphthyridine (a), and 2-benzimidazolyl-5,7-dimethyl-1,8-napthyridine (b)) were synthesized and structurally characterized by X-ray crystallography. The compound a co-crystallizes with one ethanol and two water molecules to give compound 1. Compound 1 crystallizes in the triclinic, space group P-1, with a = 6.943(2) angstrom, b = 9.009(3) angstrom, c = 13.760(3) angstrom, alpha = 96.793(2)degrees, beta = 97.431(3)degrees, gamma = 107.080(2)degrees, V = 804.6(4) angstrom(3), Z = 2. Compound 1 forms a 3D interpenetrated network through hydrogen bonds. Compound b cocrystallizes with three and one half water molecules to form 2. Compound 2 crystallizes in the monoclinic, space group C2/c, with a = 24.926(8) angstrom, b = 10.608(3) angstrom, c = 16.751(5) angstrom, b = 110.133(4)degrees, V = 4159(2) angstrom(3), Z = 8. The free water molecules form six-membered rings, these water rings connect the naphthyridine to form one dimensional chain when viewed from b axis. The naphthyridyl rings in a and b axis are connected through C-H center dot center dot center dot pi, and pi-pi interactions, due to the weak interactions the compound shows 3D network structure.
机译：合成了两种咪唑基衍生的1,8-萘啶化合物（2,7-二咪唑基-1,8-萘啶（a）和2-苯并咪唑基-5,7-二甲基-1,8-萘啶（b）），并对其结构进行了表征通过X射线晶体学。化合物a与一种乙醇和两个水分子共结晶，得到化合物1。化合物1在三斜晶系空间群P-1中结晶，其中a = 6.943（2）埃，b = 9.009（3）埃，c = 13.760（3）埃，α= 96.793（2）度，β= 97.431（3）度，伽马= 107.080（2）度，V = 804.6（4）埃（3），Z = 2.化合物1形成3D通过氢键互穿网络。化合物b与三个半水分子共结晶以形成2。化合物2在单斜晶空间群C2 / c中结晶，其中a = 24.926（8）埃，b = 10.608（3）埃，c = 16.751（5）埃，b = 110.133（4）度，V = 4159（2）埃（3），Z =8。自由水分子形成六元环，当从b观察时，这些水环连接萘啶以形成一维链轴。 a和b轴上的萘基环通过C-H中心点中心点中心点pi和pi-pi相互作用连接，由于该化合物的相互作用较弱，因此显示3D网络结构。

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