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

ABSTRACT: The asymmetric unit of the compound, C(20)H(26)N(2)O(5)·0.5C(2)H(5)OH, consists of two tetra-hydro-pyrimidine-2,4-dione mol-ecules and an ethanol mol-ecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006?Å in one mol-ecule 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 mol-ecule] from the mean plane and the C atom at the 6-position by 0.034?(3)?Å [0.082?(3)?Å in the second mol-ecule]. In each mol-ecule, the benzene ring is nearly perpendicular to the pyrimidine ring, the dihedral angle is 88.51?(8)° in one mol-ecule and 84.70?(8)° in the other. The amino group of each tetra-hydro-pyrimidine-2,4-dione mol-ecule is a hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol-ecule, the hydrogen bond generating an inversion dimer in each case. The ethanol mol-ecule forms a hydrogen bond to the meth-oxy O atom of one of two independent mol-ecules.

SUBMITTER: El-Brollosy NR 

PROVIDER: S-EPMC3275033 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature