Guegano, Xavier; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio (2011). 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. Acta crystallographica. Section E - Structure reports online, 67(11), O2967-O2968. Copenhagen: Munksgaard 10.1107/S1600536811041377
Full text not available from this repository.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), C(6)H(4)Cl(2)O(2)center dot C(6)H(2)Cl(2)O(2)center dot H(2)O, 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) angstrom (A)] are inclined to one another by 1.45 (3)degrees and are thus almost parallel. There are pi-pi interactions involving the D and A molecules, with centroid-centroid distances of 3.5043 (9) and 3.9548 (9) angstrom. Intermolecular O-H center dot center dot center dot 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 center dot center dot center dot O interactions, forming a three-dimensional structure.
Item Type: |
Journal Article (Original Article) |
|---|---|
Division/Institute: |
08 Faculty of Science > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP) |
UniBE Contributor: |
Hauser, Jürg, Liu, Shi-Xia, Decurtins, Silvio |
ISSN: |
1600-5368 |
Publisher: |
Munksgaard |
Language: |
English |
Submitter: |
Factscience Import |
Date Deposited: |
04 Oct 2013 14:26 |
Last Modified: |
05 Dec 2022 14:07 |
Publisher DOI: |
10.1107/S1600536811041377 |
Web of Science ID: |
000297859000061 |
URI: |
https://boris.unibe.ch/id/eprint/9397 (FactScience: 215128) |
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