NMR and X-ray Studies Concerning Structure of 6,6'-(Oxybis(4,1-phenylene))bis-(2-allylpyridazin3(2H)-one)

被引:3
作者
Antoci, Vasilichia [1 ]
Apostu, Mircea [1 ]
Ciobanu, Catalina [2 ]
Mantu, Dorina [1 ]
机构
[1] Alexandru Ioan Cuza Univ, Fac Chem, 11 Carol 1 Bd, Iasi 700506, Romania
[2] Alexandru Ioan Cuza Univ, Fac Chem, Res Dept, Iasi 700506, Romania
关键词
H-1- and C-13- NMR; X-ray; crystal structure; bis-pyridazine;
D O I
10.2478/achi-2014-0003
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The structural NMR and X-ray studies of 6,6'-(Oxybis(4,1phenylene))bis-(2-allylpyridazin-3(2H)-one), a bis- pyridazine derivative heterocycle, are reported in this study. Both H-1- and C-13- NMR confirm the proposed structure of compound. In order to establish unequivocally the structure of compound, the X-ray data analysis was performed. The compound crystallizes in the triclinic P-1(2) space group with a = 10.3699(7) angstrom, b = 10.6972(6) angstrom, c = 11.0449(4) angstrom, alpha = 87.941(5)degrees, beta = 75.564(5)degrees, gamma = 72.055(5)degrees, V= 1127.68 (12) angstrom(3) and Z = 2. Molecular and crystal packing parameters for the novel heterocyclic system were obtained from intensity data collected at room temperature. The two phenyl rings (from the diphenyl ether moiety) are perpendicular one to each other and, on its turn, each phenyl ring is almost coplanar with the pyridazine ring.
引用
收藏
页码:25 / 38
页数:14
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