Sridhar Balasubramanian, Ravikumar Krishnan
Laboratory of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad 500 007, India.
Acta Crystallogr C. 2010 Aug;66(Pt 8):o414-7. doi: 10.1107/S0108270110026430. Epub 2010 Jul 15.
The title compounds are proton-transfer compounds of cytosine with nicotinic acid [systematic name: 4-amino-2-oxo-2,3-dihydropyrimidin-1-ium nicotinate monohydrate (cytosinium nicotinate hydrate), C(4)H(6)N(3)O(+) x C(6)H(4)NO(2)(-) x H(2)O, (I)] and isonicotinic acid [systematic name: 4-amino-2-oxo-2,3-dihydropyrimidin-1-ium isonicotinate-4-aminopyrimidin-2(1H)-one-water (1/1/2) (cytosinium isonicotinate cytosine dihydrate), C(4)H(6)N(3)O(+) x C(6)H(4)NO(2)(-) x C(4)H(5)N(3)O x 2 H(2)O, (II)]. In (I), the cation and anion are interlinked by N-H...O hydrogen bonding to form a one-dimensional tape. These tapes are linked through water molecules to form discrete double sheets. In (II), the cytosinium-cytosine base pairs are connected by triple hydrogen bonds, leading to one-dimensional polymeric ribbons. These ribbons are further interconnected via nicotinate-water and water-water hydrogen bonding, resulting in an overall three-dimensional network.
标题化合物是胞嘧啶与烟酸的质子转移化合物[系统名称:4-氨基-2-氧代-2,3-二氢嘧啶-1-鎓烟酸盐水合物(胞嘧啶鎓烟酸盐水合物),C(4)H(6)N(3)O(+)×C(6)H(4)NO(2)(-)×H(2)O,(I)]和异烟酸[系统名称:4-氨基-2-氧代-2,3-二氢嘧啶-1-鎓异烟酸-4-氨基嘧啶-2(1H)-酮-水(1/1/2)(胞嘧啶鎓异烟酸盐水合物胞嘧啶二水合物),C(4)H(6)N(3)O(+)×C(6)H(4)NO(2)(-)×C(4)H(5)N(3)O×2 H(2)O,(II)]。在(I)中,阳离子和阴离子通过N-H...O氢键相互连接形成一维带。这些带通过水分子连接形成离散的双层。在(II)中,胞嘧啶鎓-胞嘧啶碱基对通过三重氢键连接,形成一维聚合物带。这些带通过烟酸酯-水和水-水氢键进一步相互连接,形成整体三维网络。