Document Detail

Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid.
MedLine Citation:
PMID:  22267558     Owner:  NLM     Status:  In-Data-Review    
A series of alkali salts of hydrogen bromanilic acid trihydrates (K(+), Rb(+) and Cs(+), potassium, rubidium and caesium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate trihydrate), bromanilic acid tetrahydrate (Na(+), disodium 2,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,4-diolate tetrahydrate) and bromanilic acid dihydrates (K(+), Rb(+) and Cs(+), dipotasium, dirubidium and dicaesium 2,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,4-diolate dihydrate) were prepared and studied by single-crystal X-ray diffraction. Their crystal packings are dominated by quinoid ring stacking. The monoanionic quinoid rings pack face-to-face without offset and with short centroid separations (3.25-3.30 Å), while the dianionic rings form offset stacks (1.4-1.8 Å) with a larger centroid separation (3.8-4.1 Å).
Krešimir Molčanov; Biserka Kojić-Prodić
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Publication Detail:
Type:  Journal Article     Date:  2012-01-06
Journal Detail:
Title:  Acta crystallographica. Section B, Structural science     Volume:  68     ISSN:  1600-5740     ISO Abbreviation:  Acta Crystallogr., B     Publication Date:  2012 Feb 
Date Detail:
Created Date:  2012-01-23     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  8403252     Medline TA:  Acta Crystallogr B     Country:  United States    
Other Details:
Languages:  eng     Pagination:  57-65     Citation Subset:  IM    
Rudjer Bošković Institute, PO Box 180, HR-10002 Zagreb, Croatia.
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