Fun Hoong-Kun, Goh Jia Hao, Chidan Kumar C S, Yathirajan H S, Narayana B
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 16;66(Pt 2):o372-3. doi: 10.1107/S1600536810001121.
In the title compound, C(11)H(11)ClN(4)O(3)S, the S atom is bonded in a distorted tetra-hedral geometry, by two O atoms, a C atom of the benzene ring and an amino N atom. The essentially planar pyrimidine ring [maximum deviation = 0.020 (1) Å] forms a dihedral angle of 87.57 (5)° with the benzene ring. In the crystal structure, pairs of mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds to generate centrosymmetric R(2) (2)(8) ring motifs. In addition, mol-ecules are linked into a three-dimensional extended network by inter-molecular N-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds.
在标题化合物C₁₁H₁₁ClN₄O₃S中,S原子通过两个O原子、一个苯环的C原子和一个氨基N原子以扭曲的四面体几何构型键合。基本呈平面状的嘧啶环[最大偏差 = 0.020 (1) Å]与苯环形成87.57 (5)°的二面角。在晶体结构中,分子对通过分子间N—H⋯O氢键相连,形成中心对称的R₂²(8)环 motif。此外,分子通过分子间N—H⋯N、N—H⋯O和C—H⋯O氢键连接成三维扩展网络。