Synthesis and crystal structure of ethyl 2-{[4-amino-5-cyano-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanyl}acetate
Year: 2026
Type: article
Abstract: In the title compound, C 17 H 18 N 4 O 4 S, the pyrimidine and phenyl rings subtend an interplanar angle of 30.05 (5)°. The ring angle at the C atom between the N atoms is very wide at 129.32 (11)° and the angles at the ring N atoms are narrow [115.58 (10) and 115.98 (10)°]. The molecules are linked by two classical hydrogen bonds with the amine group as donor, namely N—H...N[triple-bond]C and N—H...O=C, via an inversion centre and a 2 1 screw axis, respectively. There are also short contacts of 3.6006 (7) Å between the centroids of pairs of pyrimidine rings across inversion centres.
Institutions: National Research Centre, Technische Universität Braunschweig
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W7223066234