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5-Hydr-oxy-1,7-bis-(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate.

ABSTRACT: The title compound, C(23)H(18)N(2)O(2)·0.5H(2)O, a derivative of the biologically active compound curcumin, crystallizes with two organic mol-ecules and a solvent water mol-ecule in the asymmetric unit. Each of the two independent mol-ecules is close to being planar (the dihedral angles between the indole ring systems are approximately 9 and 12°) and each exists in the keto-enol form. There is an intra-molecular O-H?O hydrogen bond between the keto and enol groups. In the crystal, the components interact by way of N-H?N, N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Li JH

PROVIDER: S-EPMC2969607 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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5-Hydr-oxy-1,7-bis-(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate.

Li Jun-Hai JH Sun Gang-Chun GC Mague Joel T JT Xie Jing-Xi JX

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

The title compound, C(23)H(18)N(2)O(2)·0.5H(2)O, a derivative of the biologically active compound curcumin, crystallizes with two organic mol-ecules and a solvent water mol-ecule in the asymmetric unit. Each of the two independent mol-ecules is close to being planar (the dihedral angles between the indole ring systems are approximately 9 and 12°) and each exists in the keto-enol form. There is an intra-molecular O-H⋯O hydrogen bond between the keto and enol groups. In the crystal, the components ...[more]

PMID: 21583252

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