离域电子
堆积
化学
铵
盐(化学)
离子
结晶学
平面的
立体化学
药物化学
组合数学
数学
有机化学
计算机科学
计算机图形学(图像)
作者
Petr Štěpnička,Ivana Cı́sařová
标识
DOI:10.1107/s1600536811044096
摘要
The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxyl-ate ions, which associate into infinite chains parallel to [100] by means of N-H⋯O and O-H⋯O inter-actions. These chains are further cross-linked into a three-dimensional network by additional C-H⋯O contacts and by offset π-π stacking inter-actions of inversion-related aromatic rings [centroid-centroid distance = 3.7040 (14) Å]. The mol-ecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl β-amino-alcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxyl-ate unit and the butenyl group (the latter being planar within ca. 0.002 Å), which are mutually rotated by 30.3 (4)°.
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