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4-Hy-droxy-5-(2-meth-oxy-phen-oxy)-2,2'-bipyrimidin-6(5H)-one dihydrate.

ABSTRACT: The title compound, C15H12N4O4·2H2O, crystallizes with two independent water mol-ecules 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 mol-ecules are present; these link the mol-ecules into a two-dimensional network parallel to (010). In addition, weak C-H?? and ?-? [centroid-centroid distance = 3.6183?(8)?Å] inter-actions occur.

SUBMITTER: Yamuna TS 

PROVIDER: S-EPMC3884357 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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4-Hy-droxy-5-(2-meth-oxy-phen-oxy)-2,2'-bipyrimidin-6(5H)-one dihydrate.

Yamuna Thammarse S TS   Jasinski Jerry P JP   Anderson Brian J BJ   Yathirajan H S HS   Kaur Manpreet M  

Acta crystallographica. Section E, Structure reports online 20131026 Pt 11

The title compound, C15H12N4O4·2H2O, crystallizes with two independent water mol-ecules 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  ...[more]

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