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Crystal structure of 5-[2-(2,4,6-tri-bromo-phen-yl)diazen-yl]tropolone.

ABSTRACT: The title compound {systematic name: 2-hy-droxy-5-[2-(2,4,6-tri-bromo-phen-yl)diazen-1-yl]cyclo-hepta-2,4,6-trien-1-one}, C13H7Br3N2O2, is essentially planar, with an r.m.s. deviation of 0.054?Å. The mol-ecular structure is fixed in the azo tautomer by intra-molecular C-H?N inter-actions, with O-H?O hydrogen bonds creating linked dimers. Charge-transfer inter-actions are observed, with the segregated stacks linked by Br?Br inter-actions.

SUBMITTER: Hill TN

PROVIDER: S-EPMC5947493 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature

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Crystal structure of 5-[2-(2,4,6-tri-bromo-phen-yl)diazen-yl]tropolone.

Hill Tania N TN Savig Kelsey L KL Lemmerer Andreas A

Acta crystallographica. Section E, Crystallographic communications 20180427 Pt 5

The title compound {systematic name: 2-hy-droxy-5-[2-(2,4,6-tri-bromo-phen-yl)diazen-1-yl]cyclo-hepta-2,4,6-trien-1-one}, C13H7Br3N2O2, is essentially planar, with an r.m.s. deviation of 0.054 Å. The mol-ecular structure is fixed in the azo tautomer by intra-molecular C-H⋯N inter-actions, with O-H⋯O hydrogen bonds creating linked dimers. Charge-transfer inter-actions are observed, with the segregated stacks linked by Br⋯Br inter-actions. ...[more]

PMID: 29850097

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