2-[(4,6-二氨基嘧啶-2-基)硫基]-N-(2-甲基苯基)乙酰胺
2-[(4,6-Di-amino-pyrimidin-2-yl)sulfan-yl]-N-(2-methyl-phen-yl)acetamide.
作者信息
Subasri S, Kumar Timiri Ajay, Sinha Barji Nayan, Jayaprakash Venkatesh, Velmurugan Devadasan
机构信息
Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Department of pharmaceutical Sciences, Birla Institute of Technology, Mesra, Ranchi, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Jul 5;70(Pt 8):o850. doi: 10.1107/S1600536814015256. eCollection 2014 Aug 1.
In the title compound, C13H15NOS, the plane of the pyrimidine ring makes a dihedral angle of 54.73 (9)° with that of the o-tolyl ring. The mol-ecule adopts an extended conformation, which is evident from the C-C(=O)-N-Car (ar = aromatic) torsion angle of 178.42 (15)°. In the crystal, mol-ecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers with an R (2) 2(8) ring motif. The dimers are linked by N-H⋯O and C-H⋯O hydrogen bonds, with the O atom accepting three such interactions, forming sheets parallel to (100).
在标题化合物C₁₃H₁₅NOS中，嘧啶环的平面与邻甲苯基环的平面形成54.73 (9)°的二面角。分子呈伸展构象，这从C-C(=O)-N-Car（ar = 芳族）扭转角为178.42 (15)°可以明显看出。在晶体中，分子通过N-H⋯N氢键对相连，形成具有R (2) 2(8)环 motif的反演二聚体。二聚体通过N-H⋯O和C-H⋯O氢键相连，O原子接受三个这样的相互作用，形成平行于(100)的片层。
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