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Crystal structure of 4,4'-di-bromo-2',5'-dimeth-oxy-[1,1'-biphen-yl]-2,5-dione (BrHBQBr).

ABSTRACT: In the title compound, C14H10Br2O4, the dihedral angle between the aromatic rings is 67.29?(19)°. Both meth-oxy-group C atoms lie close to the plane of their attached ring [deviations = -0.130?(4) and 0.005?(5)?Å]. In the crystal, mol-ecules pack in a centrosymmetric fashion and inter-act via a mixture of weak ?-? stacking inter-actions [centroid-centoid separations = 4.044?(2) and 4.063?(3)?Å], weak C-H?O hydrogen bonding, and Br?Br halogen bonding. This induces a geometry quite different than that predicted by theory.

SUBMITTER: Meany JE

PROVIDER: S-EPMC4719812 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of 4,4'-di-bromo-2',5'-dimeth-oxy-[1,1'-biphen-yl]-2,5-dione (BrHBQBr).

Meany Joseph E JE Kelley Steven P SP Metzger Robert M RM Rogers Robin D RD Woski Stephen A SA

Acta crystallographica. Section E, Crystallographic communications 20151104 Pt 12

In the title compound, C14H10Br2O4, the dihedral angle between the aromatic rings is 67.29 (19)°. Both meth-oxy-group C atoms lie close to the plane of their attached ring [deviations = -0.130 (4) and 0.005 (5) Å]. In the crystal, mol-ecules pack in a centrosymmetric fashion and inter-act via a mixture of weak π-π stacking inter-actions [centroid-centoid separations = 4.044 (2) and 4.063 (3) Å], weak C-H⋯O hydrogen bonding, and Br⋯Br halogen bonding. This induces a geometry quite different than ...[more]

PMID: 26870403

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