2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion

Rakesh Puttreddy; Ngong Kodiah Beyeh; Elina Kalenius; Robin H A Ras; Kari Rissanen

doi:10.1039/c6cc03289c

2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion

Rakesh Puttreddy, Ngong Kodiah Beyeh, Elina Kalenius, Robin H A Ras, Kari Rissanen^*

^*Corresponding author for this work

University of Jyväskylä

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

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Abstract

Mono- and tetra-deprotonated 2-methylresorcinarene anions (1 and 2) as their trans-1,4-diammoniumcyclohexane (TDAC)²⁺ inclusion complexes are reported. The mono-anion forms a fully closed dimeric capsule [1·H₂O·MeOH]₂ ^2- with a cavity volume of 165 ³ and (TDAC)²⁺ as the guest with an extremely high packing coefficient, PC = 84.2%, while the tetra-anion forms a close-packed structure with two structurally isomeric tetra-anions 2a and 2b with a 50:50 ratio in the crystal lattice.

Original language	English
Pages (from-to)	8115-8118
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	52
DOIs	https://doi.org/10.1039/c6cc03289c
Publication status	Published - May 2016
MoE publication type	A1 Journal article-refereed

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10.1039/c6cc03289c

2-MethylresorcinareneFinal published version, 1.86 MBLicence: CC BY

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title = "2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion",

abstract = "Mono- and tetra-deprotonated 2-methylresorcinarene anions (1 and 2) as their trans-1,4-diammoniumcyclohexane (TDAC)2+ inclusion complexes are reported. The mono-anion forms a fully closed dimeric capsule [1·H2O·MeOH]2 2- with a cavity volume of 165 3 and (TDAC)2+ as the guest with an extremely high packing coefficient, PC = 84.2%, while the tetra-anion forms a close-packed structure with two structurally isomeric tetra-anions 2a and 2b with a 50:50 ratio in the crystal lattice.",

author = "Rakesh Puttreddy and Beyeh, {Ngong Kodiah} and Elina Kalenius and Ras, {Robin H A} and Kari Rissanen",

year = "2016",

month = may,

doi = "10.1039/c6cc03289c",

language = "English",

volume = "52",

pages = "8115--8118",

journal = "Chemical Communications",

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publisher = "Royal Society of Chemistry",

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T1 - 2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion

AU - Puttreddy, Rakesh

AU - Beyeh, Ngong Kodiah

AU - Kalenius, Elina

AU - Ras, Robin H A

AU - Rissanen, Kari

PY - 2016/5

Y1 - 2016/5

N2 - Mono- and tetra-deprotonated 2-methylresorcinarene anions (1 and 2) as their trans-1,4-diammoniumcyclohexane (TDAC)2+ inclusion complexes are reported. The mono-anion forms a fully closed dimeric capsule [1·H2O·MeOH]2 2- with a cavity volume of 165 3 and (TDAC)2+ as the guest with an extremely high packing coefficient, PC = 84.2%, while the tetra-anion forms a close-packed structure with two structurally isomeric tetra-anions 2a and 2b with a 50:50 ratio in the crystal lattice.

AB - Mono- and tetra-deprotonated 2-methylresorcinarene anions (1 and 2) as their trans-1,4-diammoniumcyclohexane (TDAC)2+ inclusion complexes are reported. The mono-anion forms a fully closed dimeric capsule [1·H2O·MeOH]2 2- with a cavity volume of 165 3 and (TDAC)2+ as the guest with an extremely high packing coefficient, PC = 84.2%, while the tetra-anion forms a close-packed structure with two structurally isomeric tetra-anions 2a and 2b with a 50:50 ratio in the crystal lattice.

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U2 - 10.1039/c6cc03289c

DO - 10.1039/c6cc03289c

M3 - Article

AN - SCOPUS:84976277130

SN - 1359-7345

VL - 52

SP - 8115

EP - 8118

JO - Chemical Communications

JF - Chemical Communications

IS - 52

ER -

2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion

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CCDC 1473236: Experimental Crystal Structure Determination

CCDC 1473237: Experimental Crystal Structure Determination

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2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion

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CCDC 1473236: Experimental Crystal Structure Determination

CCDC 1473237: Experimental Crystal Structure Determination

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