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1-[(环丙基甲氧基)甲基]-5-乙基-6-(4-甲基苄基)-1,2,3,4-四氢嘧啶-2,4-二酮

1-[(Cyclo-propyl-meth-oxy)meth-yl]-5-ethyl-6-(4-methyl-benzyl)-1,2,3,4-tetra-hydro-pyrimidine-2,4-dione.

作者信息

El-Brollosy Nasser R, El-Emam Ali A, Al-Deeb Omar A, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o348. doi: 10.1107/S1600536811055681. Epub 2012 Jan 11.

Abstract

The pyrimidine ring in the title compound, C(19)H(24)N(2)O(3), is nearly planar (r.m.s. deviation = 0.008 Å); the C atom at the 5-position deviates by 0.054 (3) Å from the mean plane and the C atom at the 6-position by 0.006 (3) Å in the opposite direction. The benzene ring is approximately perpendicular to the pyrimidine ring [dihedral angle = 83.90 (10)°]. The amino group is hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol-ecule, the hydrogen bond generating an inversion dimer. The cyclo-propyl ring is disordered over two sets of sites with the major component having 71.5 (4)% occupancy.

摘要

标题化合物C(19)H(24)N(2)O(3)中的嘧啶环近乎平面(均方根偏差 = 0.008 Å);5位的C原子偏离平均平面0.054 (3) Å,6位的C原子在相反方向偏离0.006 (3) Å。苯环与嘧啶环近似垂直[二面角 = 83.90 (10)°]。氨基是相邻分子2位环外O原子的氢键供体,该氢键形成一个反演二聚体。环丙基环在两组位置上无序,主要组分占有率为71.5 (4)%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b5d/3275032/cdf607e7e87b/e-68-0o348-fig1.jpg

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