Crystal structures and Hirshfeld surface analyses of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(pyridin-2-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(pyrazin-2-yl)acetamide

Acta Crystallographica Section E: Crystallographic Communications

Choudhury, M.¹  Viswanathan, V.² 

[1] Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India;Department of Pharmaceutical Science and Technology, Birla Institute of Technology, Mesta, Ranchi 835215, Jharkhand, India

关键词: CRYSTAL STRUCTURE;    4,6-DIAMINOPYRIMIDINE;    SULFANYL;    ACETAMIDE;    PYRIDINE;    PYRAZINE;    HYDROGEN BONDING;    OFFSET [PI]-[PI] INTERACTIONS;    HIRSHFELD SURFACE;   

DOI  :  10.1107/S2056989018005704

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compounds, C11H12N6OS (I) and C10H11N7OS (II), the di­amino­pyrimidine ring makes dihedral angles of 71.10 (9)° with the pyridine ring in (I) and 62.93 (15)° with the pyrazine ring in (II). The ethanamine group, –CH2–C(=O)–NH– lies in the plane of the pyridine and pyrazine rings in compounds (I) and (II), respectively. In both compounds, there is an intra­molecular N—H⋯N hydrogen bond forming an S(7) ring motif and a short C—H⋯O inter­action forming an S(6) loop. In the crystals of both compounds, mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R22(8) ring motifs. In (I), the dimers are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming layers parallel to (1\overline{1}\overline{1}). The layers are linked by offset π–π inter­actions [inter­centroid distance = 3.777 (1) Å], forming a three-dimensional supra­molecular structure. In (II), the dimers are linked by N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds, also forming a three-dimensional supra­molecular structure.

【 授权许可】

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