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.

ABSTRACT: The title compounds, C₁₂H₁₂ClN₅OS, (I), and C₁₂H₁₂ClN₅OS, (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-H?N hydrogen bond forms an S(7) ring motif. The pyrimidine ring is inclined to the benzene ring by 42.25?(14)° in (I), and by 59.70?(16) and 62.18?(15)° in mol-ecules A and B, respectively, of compound (II). In the crystal of (I), mol-ecules are linked by pairs of N-H?N hydrogen bonds, forming inversion dimers with an R₂²(8) ring motif. The dimers are linked via bifurcated N-H?O and C-H?O hydrogen bonds, forming corrugated layers parallel to the ac plane. In the crystal of (II), the A mol-ecules are linked through N-H?O and N-H?Cl hydrogen bonds, forming layers parallel to (100). The B mol-ecules are also linked by N-H?O and N-H?Cl hydrogen bonds, also forming layers parallel to (100). The parallel layers of A and B mol-ecules are linked via N-H?N hydrogen bonds, forming a three-dimensional structure.

SUBMITTER: Subasri S 

PROVIDER: S-EPMC5382600 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature