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8-Benzoyl-7-hy-droxy-4-methyl-2H-1-benzopyran-2-one monohydrate.


ABSTRACT: In the title compound, C(17)H(12)O(4)·H(2)O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011?(2)?Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63?(9)°. In the crystal, mol-ecules are linked by classical O-H?O and weak C-H?O hydrogen bonds. ?-? stacking is also present [centroid-centroid distance = 3.6898?(12)?Å].

SUBMITTER: Yang SP 

PROVIDER: S-EPMC3011619 | BioStudies | 2010-01-01T00:00:00Z

REPOSITORIES: biostudies

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