Crystal structures of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]- N -(2,4-di-methyl-phen-yl)acetamide and 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]- N -(3-meth-oxy-phen-yl)acetamide.

Autor: Choudhury M; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India., Viswanathan V; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India., Timiri AK; Department of Pharmaceutical Science and Technology, Birla Institute of Technology, Mesta, Ranchi 835 215, Jharkhand, India., Sinha BN; Department of Pharmaceutical Science and Technology, Birla Institute of Technology, Mesta, Ranchi 835 215, Jharkhand, India., Jayaprakash V; Department of Pharmaceutical Science and Technology, Birla Institute of Technology, Mesta, Ranchi 835 215, Jharkhand, India., Velmurugan D; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2017 Jun 13; Vol. 73 (Pt 7), pp. 996-1000. Date of Electronic Publication: 2017 Jun 13 (Print Publication: 2017).
DOI: 10.1107/S2056989017008143
Abstrakt: In the title compounds, C 14 H 17 N 5 OS (I) and C 13 H 15 N 5 O 2 S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intra-molecular C-H⋯O hydrogen bond, and in (II) there is also an intra-molecular N-H⋯N hydrogen bond present. In the crystals of both compounds, a pair of N-H⋯N hydrogen bonds links the individual mol-ecules to form inversion dimers with R 2 2 (8) ring motifs. In (I), the dimers are linked by N-H⋯O and C-H⋯O hydrogen bonds, enclosing R 2 1 (14), R 2 1 (11) and R 2 1 (7) ring motifs, forming layers parallel to the (100) plane. There is also an N-H⋯π inter-action present within the layer. In (II), the inversion dimers are linked by N-H⋯O hydrogen bonds enclosing an R 4 4 (18) ring motif. The presence of N-H⋯O and C-H⋯O hydrogen bonds generate an R 2 1 (6) ring motif. The combination of these various hydrogen bonds results in the formation of layers parallel to the (1-11) plane.
Databáze: MEDLINE