Crystal structure of cyclosulfamuron

• Main Authors: Gihaeng Kang, Jineun Kim, Eunjin Kwon, Tae Ho Kim
• Format: Article
• Language: English
• Published: International Union of Crystallography 2015-08-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; hydrogen bonding; π–π interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989015014115

The title compound (systematic name: 1-{[2-(cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea), C17H19N5O6S, is a pyrimidinylsulfonylurea herbicide. The dihedral angles between the mean planes of the central benzene ring and the cyclopropyl and pyrimidinyl rings are 75.32 (9) and 88.79 (4)°, respectively. The C atoms of the methoxy groups lie almost in the plane of the pyrimidine ring [deviations = 0.043 (2) and 0.028 (2) Å] and intramolecular N—H...N, N—H...O and C—H...O hydrogen bonds all close S(6) rings. In the crystal, N—H...O and C—H...O hydrogen bonds and weak π–π interactions [centroid–centroid distances = 3.6175 (9) and 3.7068 (9) Å] link adjacent molecules, forming a three-dimensional network.