[3-Meth-oxy-5-(meth-oxy-carbon-yl)isoxazol-4-yl](4-meth-oxy-phen-yl)iodo-nium 2,2,2-tri-fluoro-acetate

Mohd Abdul Fatah Abdul Manan; David B Cordes; Alexandra M Z Slawin; David O'Hagan

doi:10.1107/S2414314623003000

[3-Meth-oxy-5-(meth-oxy-carbon-yl)isoxazol-4-yl](4-meth-oxy-phen-yl)iodo-nium 2,2,2-tri-fluoro-acetate

Mohd Abdul Fatah Abdul Manan^*
, David B Cordes
, Alexandra M Z Slawin
, David O'Hagan

^*Corresponding author for this work

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

Abstract

A new isoxazole-based iodo-noium salt, C₁₃ H₁₃ INO₅⁺·C₂ F₃ O₂^- , has been synthesized and structurally characterized. In the crystal, ions are linked by short I⋯O contacts to form a neutral tetra-ion aggregate. These combine with C-H⋯F and C-H⋯O inter-actions to form double-layered two-dimensional sheets in the (001) plane.

Original language	English
Article number	x230300
Number of pages	8
Journal	IUCrData
Volume	8
Issue number	Pt 4
Early online date	6 Apr 2023
DOIs	https://doi.org/10.1107/S2414314623003000
Publication status	Published - 6 Apr 2023

Keywords

Isoxazole
Dimer
Crystal structure
Iodonium
4-methoxyphenyl

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10.1107/S2414314623003000Licence: CC BY

Manan_2023_IUCr-data_3-Methoxy_CC
Copyright (c) 2023 the authors. This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
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CCDC 2253285: Experimental Crystal Structure Determination
Manan, M. A. F. A. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator) & O'Hagan, D. (Creator), Cambridge Crystallographic Data Centre, 2023
DOI: 10.5517/ccdc.csd.cc2fmqmf
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title = "[3-Meth-oxy-5-(meth-oxy-carbon-yl)isoxazol-4-yl](4-meth-oxy-phen-yl)iodo-nium 2,2,2-tri-fluoro-acetate",

abstract = "A new isoxazole-based iodo-noium salt, C13 H13 INO5+ ·C2 F3 O2- , has been synthesized and structurally characterized. In the crystal, ions are linked by short I⋯O contacts to form a neutral tetra-ion aggregate. These combine with C-H⋯F and C-H⋯O inter-actions to form double-layered two-dimensional sheets in the (001) plane.",

keywords = "Isoxazole, Dimer, Crystal structure, Iodonium, 4-methoxyphenyl",

author = "\{Abdul Manan\}, \{Mohd Abdul Fatah\} and Cordes, \{David B\} and Slawin, \{Alexandra M Z\} and David O'Hagan",

note = "Funding: The authors acknowledge the Universiti Teknologi MARA for funding under the UMP-IIUM-UiTM Sustainable Research Collaboration Grant [600–RMC/SRC/5/3(043/2020)].",

year = "2023",

month = apr,

day = "6",

doi = "10.1107/S2414314623003000",

language = "English",

volume = "8",

journal = "IUCrData",

issn = "2414-3146",

publisher = "International Union of Crystallography",

number = "Pt 4",

}

TY - JOUR

T1 - [3-Meth-oxy-5-(meth-oxy-carbon-yl)isoxazol-4-yl](4-meth-oxy-phen-yl)iodo-nium 2,2,2-tri-fluoro-acetate

AU - Abdul Manan, Mohd Abdul Fatah

AU - Cordes, David B

AU - Slawin, Alexandra M Z

AU - O'Hagan, David

N1 - Funding: The authors acknowledge the Universiti Teknologi MARA for funding under the UMP-IIUM-UiTM Sustainable Research Collaboration Grant [600–RMC/SRC/5/3(043/2020)].

PY - 2023/4/6

Y1 - 2023/4/6

N2 - A new isoxazole-based iodo-noium salt, C13 H13 INO5+ ·C2 F3 O2- , has been synthesized and structurally characterized. In the crystal, ions are linked by short I⋯O contacts to form a neutral tetra-ion aggregate. These combine with C-H⋯F and C-H⋯O inter-actions to form double-layered two-dimensional sheets in the (001) plane.

AB - A new isoxazole-based iodo-noium salt, C13 H13 INO5+ ·C2 F3 O2- , has been synthesized and structurally characterized. In the crystal, ions are linked by short I⋯O contacts to form a neutral tetra-ion aggregate. These combine with C-H⋯F and C-H⋯O inter-actions to form double-layered two-dimensional sheets in the (001) plane.

KW - Isoxazole

KW - Dimer

KW - Crystal structure

KW - Iodonium

KW - 4-methoxyphenyl

U2 - 10.1107/S2414314623003000

DO - 10.1107/S2414314623003000

M3 - Article

C2 - 37151204

SN - 2414-3146

VL - 8

JO - IUCrData

JF - IUCrData

IS - Pt 4

M1 - x230300

ER -

[3-Meth-oxy-5-(meth-oxy-carbon-yl)isoxazol-4-yl](4-meth-oxy-phen-yl)iodo-nium 2,2,2-tri-fluoro-acetate

Abstract

Keywords

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Datasets

CCDC 2253285: Experimental Crystal Structure Determination

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