苯-1,3,5-三甲酸-1,2-双-(1,2,4-三唑-4-基)乙烷-水(4/1/2)
Benzene-1,3,5-tricarboxylic acid-1,2-bis-(1,2,4-triazol-4-yl)ethane-water (4/1/2).
作者信息
Habib Hesham A, Janiak Christoph
机构信息
Institut für Anorganische und Analytische Chemie, Universität Freiburg, Albertstrasse 21, D-79104 Freiburg, Germany.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):o1199. doi: 10.1107/S1600536808015808.
The title compound, 4C(9)H(6)O(6)·C(6)H(8)N(6)·2H(2)O, crystallizes in a layer structure where each sheet is composed of anellated hydrogen-bonded rings of six distinct sizes: R(2) (2)(16), R(3) (3)(18), R(4) (4)(12), R(4) (4)(18), R(4) (4)(22) and R(4) (4)(25). The two largest rings, viz. R(4) (4)(22) and R(4) (4)(25), are associated with O-H⋯N bonds from the carboxyl groups to the triazole rings. The typical head-to-tail carbox-yl-carboxyl R(2) (2)(8) motif is not observed.
标题化合物4C(9)H(6)O(6)·C(6)H(8)N(6)·2H(2)O以层状结构结晶，其中每个片层由六个不同大小的相互连接的氢键环组成：R(2) (2)(16)、R(3) (3)(18)、R(4) (4)(12)、R(4) (4)(18)、R(4) (4)(22)和R(4) (4)(25)。两个最大的环，即R(4) (4)(22)和R(4) (4)(25)，与从羧基到三唑环的O-H⋯N键相关。未观察到典型的头对头羧基-羧基R(2) (2)(8)基序。
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