Liu Zhengyu, Liu Kevin K-C, Elleraas Jeff, Rheingold Arnold L, Dipasquale Antonio, Yanovsky Alex
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o697. doi: 10.1107/S160053680900734X.
The title compound, C(12)H(15)N(5)OS, was obtained by reaction of 2-(2-(methyl-thio)pyrimidin-4-yl)-3-oxopropane-nitrile with (tetra-hydro-furan-3-yl)hydrazine dihydro-chloride, and the racemic product was subsequently separated by chiral chromatography (first peak; α (20) = +51.3°). The chiral center at the substituted atom of the tetra-hydro-furanyl group has an R-configuration. The pyrimidine and pyrazolyl rings are almost coplanar, their mean planes forming a dihedral angle of 6.4 (1)°. One of the H atoms of the amino group participates in an intra-molecular hydrogen bond with the pyrimidine N atom in position 3. The second H atom is involved in an inter-molecular hydrogen bond, which links the mol-ecules into an infinite chain.
标题化合物C(12)H(15)N(5)OS是通过2-(2-(甲硫基)嘧啶-4-基)-3-氧代丙腈与(四氢呋喃-3-基)肼二盐酸盐反应制得的，外消旋产物随后通过手性色谱法分离（第一个峰；α(20)= +51.3°）。四氢呋喃基取代原子上的手性中心具有R-构型。嘧啶环和吡唑环几乎共面，它们的平均平面形成6.4 (1)°的二面角。氨基的一个氢原子与3位的嘧啶氮原子形成分子内氢键。第二个氢原子参与分子间氢键，该氢键将分子连接成无限链。
