Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 11 (November 2013)


organic compounds



bt6940 scheme

Acta Cryst. (2013). E69, o1707-o1708    [ doi:10.1107/S1600536813028900 ]

4-Hy­droxy-5-(2-meth­oxy­phen­oxy)-2,2'-bipyrimidin-6(5H)-one dihydrate

T. S. Yamuna, J. P. Jasinski, B. J. Anderson, H. S. Yathirajan and M. Kaur

Abstract: The title compound, C15H12N4O4·2H2O, crystallizes with two independent water mol­ecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8)° from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1)°, respectively.In the crystal, N-H...O, O-H...N and O-H...O hydrogen bonds involving both water mol­ecules are present; these link the mol­ecules into a two-dimensional network parallel to (010). In addition, weak C-H...[pi] and [pi]-[pi] [centroid-centroid distance = 3.6183 (8) Å] inter­actions occur.


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