Sridhar Balasubramanian, Ravikumar Krishnan
Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India.
Acta Crystallogr C. 2007 Apr;63(Pt 4):o212-4. doi: 10.1107/S0108270107006300. Epub 2007 Mar 10.
In the title compound, 2C(5)H(6)N(5)(+).C(8)H(4)O(4)(2-).C(8)H(6)O(4).1.45H(2)O, the asymmetric unit comprises two adeninium cations, two half phthalate anions with crystallographic C(2) symmetry, one neutral phthalic acid molecule, and one fully occupied and one partially occupied site (0.45) for water molecules. The adeninium cations form N-H...O hydrogen bonds with the phthalate anions. The cations also form infinite one-dimensional polymeric ribbons via N-H...N interactions. In the crystal packing, hydrogen-bonded columns of cations, anions and phthalate anions extend parallel to the c axis. The water molecules crosslink adjacent columns into hydrogen-bonded layers.
在标题化合物2C(5)H(6)N(5)(+)·C(8)H(4)O(4)(2-)·C(8)H(6)O(4)·1.45H(2)O中，不对称单元包含两个腺嘌呤阳离子、两个具有晶体学C(2)对称性的半邻苯二甲酸根阴离子、一个中性邻苯二甲酸分子以及一个水分子的全占据位点和一个部分占据位点（0.45）。腺嘌呤阳离子与邻苯二甲酸根阴离子形成N-H...O氢键。阳离子还通过N-H...N相互作用形成无限的一维聚合物带。在晶体堆积中，阳离子、阴离子和邻苯二甲酸根阴离子通过氢键形成的柱平行于c轴延伸。水分子将相邻的柱交联成氢键层。
