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^*

^*Tämän työn vastaava kirjoittaja

University of Jyväskylä

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

14 Sitaatiot (Scopus)

334 Lataukset (Pure)

Abstrakti

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.

Alkuperäiskieli	Englanti
Sivut	8115-8118
Sivumäärä	4
Julkaisu	Chemical Communications
Vuosikerta	52
Numero	52
DOI - pysyväislinkit	https://doi.org/10.1039/c6cc03289c
Tila	Julkaistu - toukok. 2016
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Pääsy asiakirjaan

10.1039/c6cc03289c

2-MethylresorcinareneFinal published version, 1,86 MBLisenssi: CC BY

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CCDC 1473236: Experimental Crystal Structure Determination
Beyeh, N. (Creator), Kalenius, E. (Creator), Puttreddy, R. (Creator) & Rissanen, K. (Creator), Cambridge Crystallographic Data Centre , 1 tammik. 2017
DOI - pysyväislinkki: 10.5517/ccdc.csd.cc1lg0rt, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1lg0rt&sid=DataCite
Tietoaineisto: Dataset
CCDC 1473237: Experimental Crystal Structure Determination
Beyeh, N. (Creator), Kalenius, E. (Contributor), Puttreddy, R. (Contributor) & Rissanen, K. (Contributor), Cambridge Crystallographic Data Centre , 1 tammik. 2017
DOI - pysyväislinkki: 10.5517/ccdc.csd.cc1lg0sv, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1lg0sv&sid=DataCite
Tietoaineisto: Dataset

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@article{9558938c95dd42268003fbe3698b1a1c,

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",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "52",

}

2-Methylresorcinarene: a very high packing coefficient in a mono-anion based dimeric capsule and the X-ray crystal structure of the tetra-anion. / Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Kalenius, Elina et al.
julkaisussa: Chemical Communications, Vuosikerta 52, Nro 52, 05.2016, s. 8115-8118.

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

TY - JOUR

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.

UR - http://www.scopus.com/inward/record.url?scp=84976277130&partnerID=8YFLogxK

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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