Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone

Tania N. Hill; Kelsey L. Savig; Andreas Lemmerer

doi:10.1107/S2056989018006151

Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone

Tania N. Hill, Kelsey L. Savig, Andreas Lemmerer

Research output: Contribution to journal › Article › peer-review

Abstract

The title compound {systematic name: 2-hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one}, C₁₃ H₇ Br₃ N₂ O₂ is essentially planar, with an r.m.s. deviation of 0.054 Å. The molecular structure is fixed in the azo tautomer by intramolecular C - H...N interactions, with O - H...O hydrogen bonds creating linked dimers. Charge-transfer interactions are observed, with the segregated stacks linked by Br...Br interactions.

Original language	English
Pages (from-to)	709-712
Number of pages	4
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	74
DOIs	https://doi.org/10.1107/S2056989018006151
State	Published - 1 Jan 2018
Externally published	Yes

Keywords

azo group
azotropolone
crystal structure

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S2056989018006151

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title = "Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone",

abstract = "The title compound {systematic name: 2-hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one}, C13 H7 Br3 N2 O2 is essentially planar, with an r.m.s. deviation of 0.054 {\AA}. The molecular structure is fixed in the azo tautomer by intramolecular C - H...N interactions, with O - H...O hydrogen bonds creating linked dimers. Charge-transfer interactions are observed, with the segregated stacks linked by Br...Br interactions.",

keywords = "azo group, azotropolone, crystal structure",

author = "Hill, {Tania N.} and Savig, {Kelsey L.} and Andreas Lemmerer",

note = "Publisher Copyright: {\textcopyright} Hill et al. 2018.",

year = "2018",

month = jan,

day = "1",

doi = "10.1107/S2056989018006151",

language = "English",

volume = "74",

pages = "709--712",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

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publisher = "International Union of Crystallography",

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T1 - Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone

AU - Hill, Tania N.

AU - Savig, Kelsey L.

AU - Lemmerer, Andreas

N1 - Publisher Copyright: © Hill et al. 2018.

PY - 2018/1/1

Y1 - 2018/1/1

N2 - The title compound {systematic name: 2-hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one}, C13 H7 Br3 N2 O2 is essentially planar, with an r.m.s. deviation of 0.054 Å. The molecular structure is fixed in the azo tautomer by intramolecular C - H...N interactions, with O - H...O hydrogen bonds creating linked dimers. Charge-transfer interactions are observed, with the segregated stacks linked by Br...Br interactions.

AB - The title compound {systematic name: 2-hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one}, C13 H7 Br3 N2 O2 is essentially planar, with an r.m.s. deviation of 0.054 Å. The molecular structure is fixed in the azo tautomer by intramolecular C - H...N interactions, with O - H...O hydrogen bonds creating linked dimers. Charge-transfer interactions are observed, with the segregated stacks linked by Br...Br interactions.

KW - azo group

KW - azotropolone

KW - crystal structure

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U2 - 10.1107/S2056989018006151

DO - 10.1107/S2056989018006151

M3 - Article

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VL - 74

SP - 709

EP - 712

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

ER -

Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone

Abstract

Keywords

ASJC Scopus subject areas

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