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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.

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).

SUBMITTER: Mohamed-Ezzat RA 

PROVIDER: S-EPMC8100259 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature

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

Mohamed-Ezzat Reham A RA   Elgemeie Galal H GH   Jones Peter G PG  

Acta crystallographica. Section E, Crystallographic communications 20210423 Pt 5

The title compounds <b>3a</b>, C<sub>14</sub>H<sub>13</sub>N<sub>5</sub>OS, and <b>3b</b>, C<sub>13</sub>H<sub>12</sub>N<sub>6</sub>OS, both show an <i>E</i> configuration about the N=C bond and a planar NH<sub>2</sub> group. The mol-ecules, which only differ in the presence of a phenyl (in <b>3a</b>) or pyridyl (in <b>3b</b>) substituent, are closely similar except for the different orientations of these groups. The amino hydrogen atoms form classical hydrogen bonds; in <b>3a</b> the acceptors  ...[more]

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