The title compounds, C(12)H(12)ClN(5)OS, (I), and C(12)H(12)ClN(5)OS, (II), are 2-[(di-amino-pyrimidin-2-yl)sulfan-yl]acetamides. Compound (II), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In each of the mol-ecules, in both (I) and (II), an intra-molecular N-Hâ¯N hydrogen bond forms an S(7) ring motif. The pyrimidine ring is inclined to the benzene ring by 42.25â (14)° in (I), and by 59.70â (16) and 62.18â (15)° in mol-ecules A and B, respectively, of compound (II). In the crystal of (I), mol-ecules are linked by pairs of N-Hâ¯N hydrogen bonds, forming inversion dimers with an R(2)(2)(8) ring motif. The dimers are linked via bifurcated N-Hâ¯O and C-Hâ¯O hydrogen bonds, forming corrugated layers parallel to the ac plane. In the crystal of (II), the A mol-ecules are linked through N-Hâ¯O and N-Hâ¯Cl hydrogen bonds, forming layers parallel to (100). The B mol-ecules are also linked by N-Hâ¯O and N-Hâ¯Cl hydrogen bonds, also forming layers parallel to (100). The parallel layers of A and B mol-ecules are linked via N-Hâ¯N hydrogen bonds, forming a three-dimensional structure.
Crystal structures of N-(4-chloro-phen-yl)-2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]acetamide and N-(3-chloro-phen-yl)-2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]acetamide.
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作者:Subasri S, Kumar Timiri Ajay, Sinha Barij Nayan, Jayaprakash Venkatesan, Viswanathan Vijayan, Velmurugan Devadasan
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2017 | 起止号: | 2017 Mar 3; 73(Pt 4):467-471 |
| doi: | 10.1107/S2056989017003243 | ||
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