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Crystal structure of 4'-bromo-2',5'-dimeth-oxy-2,5-dioxo-[1,1'-biphen-yl]-3,4-dicarbo-nitrile [BrHBQ(CN)2] benzene hemisolvate.


ABSTRACT: In the crystal of the title compound, C16H9BrN2O4·0.5C6H6, the mol-ecules stack in a centrosymmetric unit cell in a 2:1 stoichiometry with co-crystallized benzene solvent mol-ecules and inter-act via various weak inter-actions. This induces a geometry different from that predicted by theory, and is unique among the hemibi-quinones heretofore reported.

SUBMITTER: Meany JE 

PROVIDER: S-EPMC4910353 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of 4'-bromo-2',5'-dimeth-oxy-2,5-dioxo-[1,1'-biphen-yl]-3,4-dicarbo-nitrile [BrHBQ(CN)2] benzene hemisolvate.

Meany Joseph E JE   Gerlach Deidra L DL   Papish Elizabeth T ET   Woski Stephen A SA  

Acta crystallographica. Section E, Crystallographic communications 20160331 Pt 4


In the crystal of the title compound, C16H9BrN2O4·0.5C6H6, the mol-ecules stack in a centrosymmetric unit cell in a 2:1 stoichiometry with co-crystallized benzene solvent mol-ecules and inter-act via various weak inter-actions. This induces a geometry different from that predicted by theory, and is unique among the hemibi-quinones heretofore reported. ...[more]

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