Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one

Acta Crystallographica Section E: Crystallographic Communications

Elgemeie, G.H.¹  Abouzeid, M.²  Jones, P.G.³ 

[1] Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt;Green Chemistry Department, National Research Center, Dokki, Cairo, Egypt;Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Postfach 3329, D-38023 Braunschweig, Germany

关键词: CRYSTAL STRUCTURE;    PYRAZOLE;    THIOCARBAMATE;    HYDROGEN BOND;   

DOI  :  10.1107/S2056989014027601

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C14H15N5OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydrogen bond from the N—H group to the cyanide N atom forms inversion-symmetric dimers, which are further linked by C—H⋯O inter­actions.

【 授权许可】

CC BY