El-Brollosy Nasser R, Attia Mohamed I, Ghabbour Hazem A, Chantrapromma Suchada, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1031-2. doi: 10.1107/S1600536812009841. Epub 2012 Mar 10.
In the title pyrimidine derivative, C(24)H(28)N(2)O(3), the uracil unit is essentially planar with an r.m.s. deviation of 0.0054 (1) Å for the eight non-H atoms. The pyrimidine ring is tilted by a dihedral angle of 77.08 (7)° with respect to the aromatic ring of the 3,5-dimethyl-benzyl substituent, whereas it is nearly parallel to the benzene ring of the pheneth-oxy-methyl unit, with a dihedral angle of 8.17 (8)°. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by a pair of amide-uracil N-H⋯O hydrogen bonds into an inversion R(2) (2)(8) dimer. These dimers are stacked along the b axis through π-π inter-actions with a centroid-centroid distance of 3.9517 (8) Å. Weak C-H⋯π inter-actions are also present.
在标题嘧啶衍生物C(24)H(28)N(2)O(3)中，尿嘧啶单元基本呈平面状，八个非氢原子的均方根偏差为0.0054 (1) Å。嘧啶环相对于3,5-二甲基苄基取代基的芳环倾斜77.08 (7)°，而它与苯氧甲基单元的苯环几乎平行，二面角为8.17 (8)°。分子内C-H⋯O氢键形成一个S(6)环 motif。在晶体中，分子通过一对酰胺-尿嘧啶N-H⋯O氢键连接成一个反演R(2) (2)(8)二聚体。这些二聚体沿着b轴通过π-π相互作用堆积，质心-质心距离为3.9517 (8) Å。还存在弱C-H⋯π相互作用。
