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1-[(Cyclopropylmethoxy)methyl]-6-(3,4-dimethoxybenzyl)-5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ethanol hemisolvate

Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 2 (February 2012)


organic compounds



xu5424 scheme

Acta Cryst. (2012). E68, o349-o350    [ doi:10.1107/S1600536811055693 ]

1-[(Cyclopropylmethoxy)methyl]-6-(3,4-dimethoxybenzyl)-5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ethanol hemisolvate

N. R. El-Brollosy, A. A. El-Emam, O. A. Al-Deeb and S. W. Ng

Abstract: The asymmetric unit of the compound, C20H26N2O5·0.5C2H5OH, consists of two tetrahydropyrimidine-2,4-dione molecules and an ethanol molecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006 Å in one molecule and 0.009 Å in the other); the C atom at the 5-position deviates by 0.083 (3) Å [0.064 (3) Å in the second molecule] from the mean plane and the C atom at the 6-position by 0.034 (3) Å [0.082 (3) Å in the second molecule]. In each molecule, the benzene ring is nearly perpendicular to the pyrimidine ring, the dihedral angle is 88.51 (8)° in one molecule and 84.70 (8)° in the other. The amino group of each tetrahydropyrimidine-2,4-dione molecule is a hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent molecule, the hydrogen bond generating an inversion dimer in each case. The ethanol molecule forms a hydrogen bond to the methoxy O atom of one of two independent molecules.

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