羧酸盐
氢键
多极展开
结晶学
各向异性
化学
生物信息学
分子
立体化学
物理
有机化学
光学
量子力学
生物
作者
F.P.A. Fabbiani,Birger Dittrich
标识
DOI:10.1107/s1600536808037409
摘要
The structure of the title compound, C(17)H(18)FN(3)O(3)·6H(2)O, has been redetermined at 120 K. An invariom refinement, a structural refinement using aspherical scattering factors from theoretically predicted multipole population parameters, yields accurate geometry and anisotropic displacement parameters, including hydrogen-bonding parameters. All potential hydrogen-bond donors and acceptors are involved in hydrogen bonding, forming an intricate three-dimensional network of N-H⋯O and O-H⋯O bonds.
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