首页> 外文期刊>IUCrData >Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate: a triclinic polymorph
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Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate: a triclinic polymorph

机译:4-(呋喃-2-基)-6-甲基-2-氧代1,2,3,4-四氢-嘧啶-5-羧酸乙酯:三斜晶型

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The title compound, C12H14N2O4, crystallizes in the triclinic space group P1. The previously reported polymorph occurs in the monoclinic space group P21/c, and has two independent molecules in the asymmetric unit [Wang (2010). Acta Cryst. E66, o2822]. The dihydropyrimidine ring adopts a screw-boat conformation. The furan ring is positioned axially and makes a dihedral angle of 85.94 (7) with the mean plane through the pyrimidine ring. In the crystal, molecules are linked via pairs of N—HO hydrogen bonds, forming inversion dimers with an R2 2 (8) ring motif. The dimers are linked by N—HO and C—HO hydrogen bonds, forming chains propagating along the a-axis direction.
机译:标题化合物C12H14N2O4在三斜空间群P1中结晶。先前报道的多晶型物出现在单斜空间群P21 / c中,在不对称单元中有两个独立的分子[Wang(2010)。 Acta Cryst。 E66,o2822]。二氢嘧啶环采用螺旋舟构型。呋喃环轴向定位,与通过嘧啶环的平均平面成85.94(7)的二面角。在晶体中,分子通过成对的N-HO氢键连接,形成具有R2 2(8)环基序的反向二聚体。二聚体通过N-HO和C-HO氢键连接,形成沿a轴方向传播的链。

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