Crystal structures of (E)-2-amino-4-methyl-sulfanyl-6-oxo-1-(1-phenyl-ethyl-idene-amino)-1,6-di-hydro-pyrimidine-5-carbo-nitrile and (E)-2-amino-4-methyl-sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl-idene-amino]-1,6-di-hydro-pyrimidine-5-carbo-nitrile

Reham A Mohamed-Ezzat; Galal H Elgemeie; Peter G Jones

doi:10.1107/S2056989021004126

Crystal structures of (E)-2-amino-4-methyl-sulfanyl-6-oxo-1-(1-phenyl-ethyl-idene-amino)-1,6-di-hydro-pyrimidine-5-carbo-nitrile and (E)-2-amino-4-methyl-sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl-idene-amino]-1,6-di-hydro-pyrimidine-5-carbo-nitrile

Acta Crystallogr E Crystallogr Commun. 2021 Apr 23;77(Pt 5):547-550. doi: 10.1107/S2056989021004126. eCollection 2021 May 1.

Authors

Reham A Mohamed-Ezzat¹, Galal H Elgemeie², Peter G Jones³

Affiliations

¹ Chemistry of Natural & Microbial Products Department, National Research Center, Cairo, Egypt.
² Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.
³ Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.

Abstract

The title compounds 3a, C₁₄H₁₃N₅OS, and 3b, C₁₃H₁₂N₆OS, both show an E configuration about the N=C bond and a planar NH₂ group. The mol-ecules, which only differ in the presence of a phenyl (in 3a) or pyridyl (in 3b) substituent, are closely similar except for the different orientations of these groups. The amino hydrogen atoms form classical hydrogen bonds; in 3a the acceptors are the oxygen atom and the cyano nitro-gen atom, leading to ribbons of mol-ecules parallel to the b axis, whereas in 3b the acceptors are the oxygen atom and the pyridyl nitro-gen, leading to a layer structure perpendicular to (01).

Keywords: crystal structure; hydrogen bonds; pyrimidinones.