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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-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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

Yang Shu-Ping SP Han Li-Jun LJ Wang Da-Qi DQ Chen Xiao-Yun XY

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

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. π-π stacking is also present [centroid-centroid distance = 3.6898 (12) Å]. ...[more]

PMID: 21589478

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