Thanigaimani Kaliyaperumal, Farhadikoutenaei Abbas, Arshad Suhana, Razak Ibrahim Abdul, Balasubramani Kasthuri
School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3415-6. doi: 10.1107/S1600536812046338. Epub 2012 Nov 24.
The base mol-ecule of the title co-crystal, C7H10N2O2S·C7H6O3, is essentially planar, with a maximum deviation of 0.0806 (14) Å for all non-H atoms. The acid mol-ecule is also nearly planar, with a dihedral angle of 8.12 (14)° between the benzene ring and the carb-oxy group. In the crystal, the acid mol-ecules form an inversion dimer through a pair of O-H⋯O hydrogen bonds with an R2(2)(8) ring motif. The pyrimidine mol-ecules are linked on both sides of the dimer into a heterotetra-mer via O-H⋯N and C-H⋯O hydrogen bonds with R2(2)(8) ring motifs. The heterotetra-mers are further linked by weak C-H⋯O hydrogen bonds, forming a tape structure along [1-10].
标题共晶体C7H10N2O2S·C7H6O3的基础分子基本呈平面状，所有非H原子的最大偏差为0.0806 (14) Å。酸分子也近乎呈平面状，苯环与羧基之间的二面角为8.12 (14)°。在晶体中，酸分子通过一对O—H⋯O氢键形成一个具有R2(2)(8)环模式的反演二聚体。嘧啶分子通过具有R2(2)(8)环模式的O—H⋯N和C—H⋯O氢键在二聚体的两侧连接成一个异四聚体。异四聚体通过弱C—H⋯O氢键进一步连接，沿[1-10]形成带状结构。
