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2-Hydr-oxy-3-methoxy-benzoic acid monohydrate.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(8)O(4)·H(2)O, contains two organic mol-ecules which are connected by the two water mol-ecules through O-H⋯O hydrogen bonds, forming an R(4) (4)(12) ring. Further O-H⋯O hydrogen bonds assemble these rings through R(6) (6)(18) rings, giving rise to infinite helical chains arranged around the b axis. These helical chains are assembled by offset π-π stacking inter-actions [centroid-centroid distance = 3.6432 (8) Å] between the aromatic rings of neigboring chains, forming a supra-molecular network.

SUBMITTER: Fang ZQ

PROVIDER: S-EPMC2960960 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

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2-Hydr-oxy-3-methoxy-benzoic acid monohydrate.

Fang Zhan-Qiang ZQ Zeng Rong-Hua RH Yang Mei M Liu Hui H Chen Xiao-Lei XL

Acta crystallographica. Section E, Structure reports online 20080312 Pt 4

The asymmetric unit of the title compound, C(8)H(8)O(4)·H(2)O, contains two organic mol-ecules which are connected by the two water mol-ecules through O-H⋯O hydrogen bonds, forming an R(4) (4)(12) ring. Further O-H⋯O hydrogen bonds assemble these rings through R(6) (6)(18) rings, giving rise to infinite helical chains arranged around the b axis. These helical chains are assembled by offset π-π stacking inter-actions [centroid-centroid distance = 3.6432 (8) Å] between the aromatic rings of neigbo ...[more]

PMID: 21202083

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