Trilleras Jorge, Ramos Juan, Cobo Justo, Glidewell Christopher
Grupo de Investigación en Compuestos, Heterocíclicos-Programa de Química, Facultad de Ciencias Básicas, Universidad del Atlántico, Barranquilla, Colombia.
Acta Crystallogr C. 2013 Sep;69(Pt 9):1043-6. doi: 10.1107/S0108270113020465. Epub 2013 Aug 3.
The molecules of the title compound, C13H18N6O2S2, lie across twofold rotation axes in the space group C2/c. Although the pyrimidine ring is effectively planar, the bridging methylene C atom is displaced from the plane of the pyrimidine ring by 0.213 (2) Å, while the C-C-C angle at the bridging C atom is 120.3 (2)°. The molecule contains two symmetry-related N-H···O hydrogen bonds, generating S(8) motifs, and intermoecular N-H···O hydrogen bonds link the molecules into a ribbon of edge-fused rings.
标题化合物C₁₃H₁₈N₆O₂S₂的分子位于空间群C2/c的二重旋转轴上。尽管嘧啶环实际上是平面的,但桥连亚甲基C原子偏离嘧啶环平面0.213 (2) Å,而桥连C原子处的C-C-C角为120.3 (2)°。该分子包含两个对称相关的N-H···O氢键,形成S(8) motif,分子间的N-H···O氢键将分子连接成边缘稠合环的带状结构。