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合成并表征了一个吡啶功能化1,4-二氮环庚烷(DACH)化合物[N,N’-双(吡啶基-2-亚甲基)-1,4-二氮环庚烷]的质子化高氯酸盐.用X-射线衍射技术测定了标题化合物H4BPDACH·(ClO4)4·1.5H2O(1)的晶体结构:三斜晶系,P-1空间群,晶胞参数a=0.7911(5)nm,b=1.2695(9)nm,c=1.5178(11)nm,α=104.448(13)o,β=102.383(13)o,γ=92.159(12)o,V=1.4352(17)nm3,Z=2.化合物1的不对称单元中包含两个晶体学独立的[H4BPDACH]4+阳离子,其中DACH环均采取类似的船式构象,但两个侧臂吡啶环分别采取顺势和反式排列.质子化NH基团和溶剂及阴离子之间存在多重氢键相互作用,这进一步稳定了此结构.
A pyridine-functionalized 1,4-diazacycloheptane (DACH) compound [N, N’-bis (pyridyl-2-methylene) -1,4-diazacycloheptane] was synthesized and characterized Protonated perchlorate.The crystal structure of the title compound H4BPDACH · (ClO4) 4 · 1.5H2O (1) was determined by X-ray diffraction: triclinic, P-1 space group with unit cell parameter a = 0.7911 (5) nm b = 1.2695 (9) nm c = 1.5178 (11) nm α = 104.448 (13) o β = 102.383 (13) o γ = 92.159 (12) o V = 1.4352 ) nm3, Z = 2. The asymmetric unit of compound 1 contains two crystallographically independent [H4BPDACH] 4+ cations, of which the DACH rings all adopt a similar boat conformation, but the two side-arm pyridine rings adopt homeopathic and Trans arrangement.Multiple hydrogen-bonding interactions exist between the protonated NH group and the solvent and anion, which further stabilizes the structure.