2,3-Dichloro-1,4-hydro-quinone 2,3-dichloro-1,4-benzoquinone monohydrate: a quinhydrone-type 1:1 donor-acceptor [D-A] charge-transfer complex.

ABSTRACT: IN THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND (SYSTEMATIC NAME: 2,3-dichloro-benzene-1,4-diol 2,3-dichloro-cyclo-hexa-2,5-diene-1,4-dione monohydrate), C(6)H(4)Cl(2)O(2)·C(6)H(2)Cl(2)O(2)·H(2)O, the 2,3-dichloro-1,4-hydro-quinone donor (D) and the 2,3-dichloro-1,4-benzoquinone acceptor (A) mol-ecules form alternating stacks along [100]. Their mol-ecular planes [maximum deviations for non-H atoms: 0.0133?(14) (D) and 0.0763?(14)?Å (A)] are inclined to one another by 1.45?(3)° and are thus almost parallel. There are ?-? inter-actions involving the D and A mol-ecules, with centroid-centroid distances of 3.5043?(9) and 3.9548?(9)?Å. Inter-molecular O-H?O hydrogen bonds involving the water mol-ecule and the hy-droxy and ketone groups lead to the formation of two-dimensional networks lying parallel to (001). These networks are linked by C-H?O inter-actions, forming a three-dimensional structure.

SUBMITTER: Guegano X 

PROVIDER: S-EPMC3247373 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature