In the title compounds, C(11)H(12)N(6)OS (I) and C(10)H(11)N(7)OS (II), the di-amino-pyrimidine ring makes dihedral angles of 71.10â (9)° with the pyridine ring in (I) and 62.93â (15)° with the pyrazine ring in (II). The ethanamine group, -CH(2)-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 intra-molecular N-Hâ¯N hydrogen bond forming an S(7) ring motif and a short C-Hâ¯O inter-action forming an S(6) loop. In the crystals of both compounds, mol-ecules are linked by pairs of N-Hâ¯N hydrogen bonds, forming inversion dimers with R(2)(2)(8) ring motifs. In (I), the dimers are linked by N-Hâ¯O and N-Hâ¯N hydrogen bonds, forming layers parallel to (1[Formula: see text] [Formula: see text]). The layers are linked by offset Ï-Ï inter-actions [inter-centroid distance = 3.777â (1)â à ], forming a three-dimensional supra-molecular structure. In (II), the dimers are linked by N-Hâ¯O, N-Hâ¯N and C-Hâ¯O hydrogen bonds, also forming a three-dimensional supra-molecular structure.
Crystal structures and Hirshfeld surface analyses of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(pyridin-2-yl)acetamide and 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(pyrazin-2-yl)acetamide.
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作者:Choudhury Manisha, Viswanathan Vijayan, Timiri Ajay Kumar, Sinha Barij Nayan, Jayaprakash Venkatesan, Velmurugan Devadasan
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2018 | 起止号: | 2018 Apr 27; 74(Pt 5):718-723 |
| doi: | 10.1107/S2056989018005704 | ||
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