Abstract − Analytical Sciences, 19(2), 333 (2003).
Crystal Structure of the 1:2:2 Adduct of Piperazine, o-Phthalic Acid and Water
Zhi Min JIN,*1 Yuan Jiang PAN,*2 Ling HE,*2 Zu Guang LI,*3 and Kai Bei YU*4
*1 College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, P. R. China
*2 Department of Chemistry, Zhejiang University, Hangzhou 310027, P. R. China
*3 Department of Analysis, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, P. R. China
*4 Chendu Institute of Organic Chemistry, Chinese Academy of Sciences, Chendu 610041, P. R. China
*2 Department of Chemistry, Zhejiang University, Hangzhou 310027, P. R. China
*3 Department of Analysis, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, P. R. China
*4 Chendu Institute of Organic Chemistry, Chinese Academy of Sciences, Chendu 610041, P. R. China
The adduct of piperazine, o-phthalic acid and water (1:2:2), C20H26N2O10, crystallizes in the monoclinic space group P21/c with a = 6.129(1), b = 12.810(2), c = 13.137(2)Å, beta= 95.87(1)°, V = 1026.0(3)Å3, Z = 2. The piperazinium adopts a chair comformer, and is tied with the hydrogen orthophthalate via a hydrogen bond of the N-H···O type. Because of bifurcated hydrogen bonding of C(sp3)H-O [3.0801(17) and 3.1408(18)Å] and the shortest hydrogen bond of C(sp3)H-O [2.9758(17)Å], C(sp3)H-O hydrogen bonds play important roles in stablizing the title adduct.
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