The hydrogen-bond interactions in ionic liquids have been simply described by the conventional hydrogen-bond model of A–H···B. Coupling with the strong electrostatic force, however, hydrogen bond betwe...The hydrogen-bond interactions in ionic liquids have been simply described by the conventional hydrogen-bond model of A–H···B. Coupling with the strong electrostatic force, however, hydrogen bond between the cation and anion shows particular features in the geometric, energetic, electronic, and dynamic aspects, which is inherently different from that of the conventional hydrogen bond. A general model could be expressed as +[A–H···B]-, in which A and B represent heavy atoms and "+" and "–" represent the charges of the cation containing A atom and anion containing B atom, respectively. Because the structure shows a "zig-zag" motif, this coupling interaction is defined here as the Z-bond. The new model could be generally used to describe the interactions in ionic liquids, as well as bio-systems involved in ions, ionic reaction, and ionic materials.展开更多
The title compound,C 12 N 2 O 4 H 14 （M r=250.3）,crystallizes in triclinic P1 space group with a=7.7709（9）,b=8.7534（11）,c=9.6958（12）,α=77.103（2）,β=80.496（2）,γ=86.726（2）o,V=633.9（1） 3,Z=2,F（000）=26...The title compound,C 12 N 2 O 4 H 14 （M r=250.3）,crystallizes in triclinic P1 space group with a=7.7709（9）,b=8.7534（11）,c=9.6958（12）,α=77.103（2）,β=80.496（2）,γ=86.726（2）o,V=633.9（1） 3,Z=2,F（000）=264,D c=1.311 Mg/m 3,μ（MoKα）=0.1 mm-1,the final R=0.056,and wR=0.15 for 2239 observed reflections （I 2σ（Ⅰ））.The molecules in the crystal are linked through O-H···O type of hydrogen bonding interaction forming an infinite chainlike structure.The phenylhydrazone ring and oxobutanoate groups are almost planar.The keto hydrazo group adopts a Z-configuration in the molecule and the torsion angle is-177.6（2）°.展开更多
基金supported by the National Natural Science Foundation of China(21036007)the Fund of State Key Laboratory of Multiphase Complex System,Institute of Process Engineering,Chinese Academy of Sciences(MPCS-2012-A-10)
文摘The hydrogen-bond interactions in ionic liquids have been simply described by the conventional hydrogen-bond model of A–H···B. Coupling with the strong electrostatic force, however, hydrogen bond between the cation and anion shows particular features in the geometric, energetic, electronic, and dynamic aspects, which is inherently different from that of the conventional hydrogen bond. A general model could be expressed as +[A–H···B]-, in which A and B represent heavy atoms and "+" and "–" represent the charges of the cation containing A atom and anion containing B atom, respectively. Because the structure shows a "zig-zag" motif, this coupling interaction is defined here as the Z-bond. The new model could be generally used to describe the interactions in ionic liquids, as well as bio-systems involved in ions, ionic reaction, and ionic materials.
基金The National Natural Science Fund of China(90206014,50472038)Programfor New Century Excellent Tal-ents in University of China(NCET-04-0588)+1 种基金The Outstanding Youth Fund of Anhui Province(04044060)The Award for High Level Intellectuals from Anhui Province(2004Z027).
文摘The title compound,C 12 N 2 O 4 H 14 （M r=250.3）,crystallizes in triclinic P1 space group with a=7.7709（9）,b=8.7534（11）,c=9.6958（12）,α=77.103（2）,β=80.496（2）,γ=86.726（2）o,V=633.9（1） 3,Z=2,F（000）=264,D c=1.311 Mg/m 3,μ（MoKα）=0.1 mm-1,the final R=0.056,and wR=0.15 for 2239 observed reflections （I 2σ（Ⅰ））.The molecules in the crystal are linked through O-H···O type of hydrogen bonding interaction forming an infinite chainlike structure.The phenylhydrazone ring and oxobutanoate groups are almost planar.The keto hydrazo group adopts a Z-configuration in the molecule and the torsion angle is-177.6（2）°.
基金Supported by the National Key Project of Fundamental Research( G2 0 0 0 0 7810 2 ) and the National Natural ScienceFoundation of China( No. 2 9992 5 90 - 5 )
