(E)-2,4,7-Trichloro-3-hydr-oxy-8-meth-oxy-1,9-dimethyl-6-(1-methyl-1-propen-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one monohydrate (nidulin monohydrate).

ABSTRACT: In the title compound, C(20)H(17)Cl(3)O(5)·H(2)O, the nidulin mol-ecule consists of three rings, the folded central dioxepin-11-one ring being fused on both sides to phenyl rings. The mol-ecular structure is stabilized by intra-molecular O-H?Cl and C-H?Cl hydrogen bonds that generate S(6) ring motifs. The crystal structure is stabilized by inter-molecular O-H?O and O-H?(O,O) hydrogen bonds mediated by two inversion-related water mol-ecules, generating R(4) (2)(8) ring and C(2) (2)(4) chain motifs. Weak inter-molecular Cl?O halogen bonds are also present with Cl?O distances of 3.071?(1) and 3.182?(2)?Å.

SUBMITTER: Aree T 

PROVIDER: S-EPMC2970284 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature