Details

Autor(en) / Beteiligte

• Guégano, Xavier
• Hauser, Jürg
• Liu, Shi-Xia
• Decurtins, Silvio

Titel

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

Ist Teil von

• Acta crystallographica. Section E, Structure reports online, 2011-11, Vol.67 (11), p.o2967-o2968

Ort / Verlag

International Union of Crystallography

Erscheinungsjahr

2011

Beschreibungen/Notizen

• In the crystal structure of the title compound (systematic name: 2,3-dichlorobenzene-1,4-diol 2,3-dichlorocyclohexa-2,5-diene-1,4-dione monohydrate), C6H4Cl2O2·C6H2Cl2O2·H2O, the 2,3-dichloro-1,4-hydroquinone donor (D) and the 2,3-dichloro-1,4-benzoquinone acceptor (A) molecules form alternating stacks along [100]. Their molecular 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 π–π interactions involving the D and A molecules, with centroid–centroid distances of 3.5043 (9) and 3.9548 (9) Å. Intermolecular O—H...O hydrogen bonds involving the water molecule and the hydroxy and ketone groups lead to the formation of two-dimensional networks lying parallel to (001). These networks are linked by C—H...O interactions, forming a three-dimensional structure.