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Benzene-1,4-diol-5-(1H-imidazol-1-yl)pyrimidine (1/1).

ABSTRACT: The asymmetric unit of title compound, C(7)H(6)N(4)·C(6)H(6)O(2), contains one 5-(1H-imidazol-1-yl)pyrimidine mol-ecule and two half benzene-1,4-diol mol-ecules; the benzene-1,4-diol mol-ecules are located on individual inversion centers. In the pyrimidine mol-ecule, the imidazole ring is twisted with respect to the pyrimidine ring at a dihedral angle of 25.73?(7)°. In the crystal, O-H?N hydrogen bonds link the mol-ecules to form supra-molecular chains. ?-? stacking is also observed in the crystal, the centroid-centroid distance between parallel imdazole rings being 3.5543?(16)?Å.

SUBMITTER: Jiang YK

PROVIDER: S-EPMC3247463 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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Benzene-1,4-diol-5-(1H-imidazol-1-yl)pyrimidine (1/1).

Jiang Yan-Ke YK Hou Gui-Ge GG

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The asymmetric unit of title compound, C(7)H(6)N(4)·C(6)H(6)O(2), contains one 5-(1H-imidazol-1-yl)pyrimidine mol-ecule and two half benzene-1,4-diol mol-ecules; the benzene-1,4-diol mol-ecules are located on individual inversion centers. In the pyrimidine mol-ecule, the imidazole ring is twisted with respect to the pyrimidine ring at a dihedral angle of 25.73 (7)°. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules to form supra-molecular chains. π-π stacking is also observed in the cryst ...[more]

PMID: 22220081

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