Crystal and Molecular Structure of Phenanthrolinium Peroxodisulfate Dihydrate (C12H9N2)(2)S2O8 center dot 2H(2)O

Skogareva LS; Minacheva LK; Sergienko VS

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Crystal and Molecular Structure of Phenanthrolinium Peroxodisulfate Dihydrate (C12H9N2)(2)S2O8 center dot 2H(2)O

机译：过二硫酸菲咯啉鎓二水合物（C12H9N2）（2）S2O8中心点2H（2）O的晶体和分子结构

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The crystal structure of (HPhen)(2)S2O8 center dot 2H(2)O is studied using X-ray diffraction. The crystals are monoclinic, a = 23.716(5) angstrom, b = 10.220(2) angstrom, c = 13.103(3) angstrom, beta= 128.03(2)degrees, V = 2501.6(9) angstrom(3), Z = 4, space group C2/c, and R = 0.0745 for 1579 reflections with I > 2 sigma(I). The crystal is built of S2O82- centrosymmetric anions, HPhen(+) cations, and molecules of crystallization water. Hydrogen bonds link the structural units into chains. Within a chain, stacking interactions are observed between the phenanthroline rings (the interplanar spacing between the rings is 3.8 angstrom, and the dihedral angle between their planes is 8 degrees. The data of IR spectroscopy confirm the formation of the N(Phen)-H bond.

机译：使用X射线衍射研究了（HPhen）（2）S2O8中心点2H（2）O的晶体结构。晶体是单斜晶体，a = 23.716（5）埃，b = 10.220（2）埃，c = 13.103（3）埃，beta = 128.03（2）度，V = 2501.6（9）埃（3），Z =如图4所示，对于I> 2 sigma（I）的1579次反射，空间组C2 / c和R = 0.0745。该晶体由S2O82-中心对称阴离子，HPhen（+）阳离子和结晶水分子组成。氢键将结构单元链接成链。在一条链中，观察到菲咯啉环之间的堆积相互作用（环之间的平面间距为3.8埃，平面之间的二面角为8度。红外光谱数据证实了N（Phen）-H的形成键。

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《Crystallography reports》 |2009年第1期|共4页
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Skogareva LS; Minacheva LK; Sergienko VS;
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Crystal and Molecular Structure of Phenanthrolinium Peroxodisulfate Dihydrate (C12H9N2)(2)S2O8 center dot 2H(2)O

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