5-氟胞嘧啶-三聚氰胺共晶体（4/1）中的氢键模式
Hydrogen-bonding patterns in 5-fluoro-cytosine-melamine co-crystal (4/1).
作者信息
Mohana Marimuthu, Muthiah Packianathan Thomas, Sanjeewa Liurukara D, McMillen Colin D
机构信息
School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu, India.
Department of Chemistry, Clemson University, H. L. Hunter Laboratories, Clemson, SC 29634, USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):552-5. doi: 10.1107/S205698901600476X. eCollection 2016 Apr 1.
The asymmetric unit of the title compound, 4C4H4FN3O·C3H6N6, comprises of two independent 5-fluoro-cytosine (5FC) mol-ecules (A and B) and one half-mol-ecule of melamine (M). The other half of the melamine mol-ecule is generated by a twofold axis. 5FC mol-ecules A and B are linked through two different homosynthons [R 2 (2)(8) ring motif]; one is formed via a pair of N-H⋯O hydrogen bonds and the second via a pair of N-H⋯N hydrogen bonds. In addition to this pairing, the O atoms of 5FC mol-ecules A and B inter-act with the N2 amino group on both sides of the melamine mol-ecule, forming a DDAA array of quadruple hydrogen bonds and generating a supra-molecular pattern. The 5FC (mol-ecules A and B) and two melamine mol-ecules inter-act via N-H⋯O, N-H⋯N and N-H⋯O, N-H⋯N, C-H⋯F hydrogen bonds forming R 6 (6)(24) and R 4 (4)(15) ring motifs. The crystal structure is further strengthened by C-H⋯F, C-F⋯π and π-π stacking inter-actions.
标题化合物4C₄H₄FN₃O·C₃H₆N₆的不对称单元由两个独立的5-氟胞嘧啶（5FC）分子（A和B）和半个三聚氰胺（M）分子组成。三聚氰胺分子的另一半由一个二次轴生成。5FC分子A和B通过两种不同的同合成子[R₂(2)(8)环基序]相连；一种通过一对N-H⋯O氢键形成，另一种通过一对N-H⋯N氢键形成。除了这种配对外，5FC分子A和B的O原子与三聚氰胺分子两侧的N2氨基相互作用，形成四重氢键的DDAA阵列并产生超分子模式。5FC（分子A和B）与两个三聚氰胺分子通过N-H⋯O、N-H⋯N和N-H⋯O、N-H⋯N、C-H⋯F氢键相互作用，形成R₆(6)(24)和R₄(4)(15)环基序。晶体结构通过C-H⋯F、C-F⋯π和π-π堆积相互作用进一步得到加强。
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