2-羧基-4,5-二氯苯甲酸4-甲氧基苯胺盐
4-Meth-oxy-anilinium 2-carb-oxy-4,5-di-chloro-benzoate.
作者信息
Smith Graham, Wermuth Urs D
机构信息
Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 18;69(Pt 10):o1546. doi: 10.1107/S1600536813025014. eCollection 2013.
In the title salt C7H10NO(+)·C8H3Cl2O4 (-) the benzene rings of the cation and anion are essentially parallel [inter-ring dihedral angle 4.8 (2)°]. In the anion the carb-oxy-lic acid and carboxyl-ate groups make dihedral angles of 19.0 (2) and 79.5 (2)°, respectively, with the benzene ring. Aminium N-H⋯O, carb-oxy-lic acid O-H⋯O and weak aromatic C-H⋯O hydrogen-bonding associations with carboxyl O-atom acceptors together with cation-anion π-π ring inter-actions [minimum ring centroid separation = 3.734 (3) Å] give rise to a sheet structure lying parallel to (001).
在标题盐C₇H₁₀NO⁺·C₈H₃Cl₂O₄⁻中，阳离子和阴离子的苯环基本平行[环间二面角4.8 (2)°]。在阴离子中，羧酸基团和羧酸盐基团与苯环的二面角分别为19.0 (2)°和79.5 (2)°。铵根N - H⋯O、羧酸O - H⋯O以及与羧基O原子受体的弱芳香C - H⋯O氢键缔合，连同阳离子 - 阴离子π - π环相互作用[最小环质心间距 = 3.734 (3) Å]，产生了一个平行于(001)的层状结构。
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