Structural and spectroscopic studies of 3,5-diamino-4H-1,2,4-triazol-1-ium dihydrogenmonophosphate

被引：0
|
作者：
Oueslati, J. [1 ]
Oueslati, A. [1 ]
Lefebvre, F. [2 ]
Rzaigui, M. [1 ]
Ben Nasr, C. [1 ]
机构：
[1] Fac Sci Bizerte, Chim Phys Lab, Zarzouna 7021, Tunisia
[2] Ecole Super Chim Phys Elect, Equipe Chim Organomet Surface LCOMS, Lab LC2P2, Villeurbanne, France
来源：
CANADIAN JOURNAL OF ANALYTICAL SCIENCES AND SPECTROSCOPY | 2008年 / 53卷 / 01期
关键词：
X-ray diffraction; Inorganic layer; pi-pi interactions; NMR spectroscopy; IR spectroscopy;
D O I：
暂无
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
Physicochemical properties of a new organic dihydrogenmonophosphate [C2H6N5] H2PO4 are discussed on the basis of X-ray crystal structure investigation. This compound crystallizes in the orthorhombic F2dd group with a = 6.082(3) angstrom, b = 13.531(14) angstrom, c = 37.075(8) angstrom, V = 3051.0(1) angstrom(3), and Z = 8. Crystal structure was solved and refined to R = 0.026, using 915 independent reflections. It can be described by inorganic layers parallel to (a, b) planes, situated at z = 0, 1/4, 1/2 and 3/4. Between these layers are located the organic cations through numerous hydrogen bonds producing a three-dimensional network. Each organic entity is connected to two neighbors by pi-pi stacking interactions. A characterization of this compound by solid-state C-13, N-15 and P-31 MAS NMR and IR spectroscopies is also reported.
引用
收藏
页码：36 / 44
页数：9
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