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2-[(1R,4R)-1,4-Dihy-droxy-cyclo-hex-yl]acetic acid.

ABSTRACT: The title compound, C(8)H(14)O(4), is an isolation product of the aerial parts of Senecio desfontanei. The acetic acid group is oriented at a dihedral angle of 48.03?(9)° with respect to the basal plane of the cyclo-hexane-1,4-diol chair. An intra-molecular O-H?O hydrogen bond generates an S(6) ring with an envelope conformation. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, resulting in R(3) (3)(20) ring motifs and C(2) O-H?O-H?O-H? chains. Overall, a three-dimensional polymeric network arises. A C-H?O contact is also present.

SUBMITTER: Arfan M

PROVIDER: S-EPMC3100032 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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2-[(1R,4R)-1,4-Dihy-droxy-cyclo-hex-yl]acetic acid.

Arfan Mohammad M Hussain Syed Hamid SH Tahir M Nawaz MN Rafique Jamal J Shaheen Farzana F

Acta crystallographica. Section E, Structure reports online 20110326 Pt 4

The title compound, C(8)H(14)O(4), is an isolation product of the aerial parts of Senecio desfontanei. The acetic acid group is oriented at a dihedral angle of 48.03 (9)° with respect to the basal plane of the cyclo-hexane-1,4-diol chair. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring with an envelope conformation. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, resulting in R(3) (3)(20) ring motifs and C(2) O-H⋯O-H⋯O-H⋯ chains. Overall, a three-dimensional polymeri ...[more]

PMID: 21754231

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