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3-(4-Hy-droxy-phen-yl)-7-meth-oxy-chroman-4-one monohydrate.

ABSTRACT: In the title compound, C(16)H(14)O(4)·H(2)O, the dihedral angle betwen the benzene rings is 71.4?(6)°. The pyran ring is in a sofa conformation. In the crystal, O-H?O hydrogen bonds connect the components into a two-dimensional network parallel to (010), incorporating C(2) (2)(4) and C(2) (2)(11) chains. In addition, weak C-H?O, C-H?? and ?-? stacking inter-actions [centroid-centroid distance = 3.768?(2)?Å] are present.

SUBMITTER: Xiao ZP

PROVIDER: S-EPMC3238877 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

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3-(4-Hy-droxy-phen-yl)-7-meth-oxy-chroman-4-one monohydrate.

Xiao Zhu-Ping ZP Peng Zhu-Yun ZY Luo Qun Q Wu Ying Y Yang Ye-Ling YL

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

In the title compound, C(16)H(14)O(4)·H(2)O, the dihedral angle betwen the benzene rings is 71.4 (6)°. The pyran ring is in a sofa conformation. In the crystal, O-H⋯O hydrogen bonds connect the components into a two-dimensional network parallel to (010), incorporating C(2) (2)(4) and C(2) (2)(11) chains. In addition, weak C-H⋯O, C-H⋯π and π-π stacking inter-actions [centroid-centroid distance = 3.768 (2) Å] are present. ...[more]

PMID: 22199730

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