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.

ABSTRACT: In the title compounds, C11H12N6OS (I) and C10H11N7OS (II), the di-amino-pyrimidine 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 intra-molecular N-H?N hydrogen bond forming an S(7) ring motif and a short C-H?O inter-action forming an S(6) loop. In the crystals of both compounds, mol-ecules 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[Formula: see text] [Formula: see text]). The layers are linked by offset ?-? inter-actions [inter-centroid distance = 3.777?(1)?Å], forming a three-dimensional supra-molecular 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 supra-molecular structure.

SUBMITTER: Choudhury M 

PROVIDER: S-EPMC5947495 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature