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[6]Cyclo-2,7-naphthyl­ene: a redetermination

Single crystals of a macrocyclic hydro­carbon, [6]cyclo-2,7-naphthyl­ene ([6]CNAP, C(60)H(36)) were prepared from anthracene melt with a prolonged time for the recrystallization. The crystal of improved quality led to the correction of the space-group assignment to Cmca from [Image: see text] in the...

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Autores principales: Nakanishi, Waka, Xue, Jing Yang, Yoshioka, Tomoaki, Isobe, Hiroyuki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152034/
https://www.ncbi.nlm.nih.gov/pubmed/21837143
http://dx.doi.org/10.1107/S1600536811023427
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author Nakanishi, Waka
Xue, Jing Yang
Yoshioka, Tomoaki
Isobe, Hiroyuki
author_facet Nakanishi, Waka
Xue, Jing Yang
Yoshioka, Tomoaki
Isobe, Hiroyuki
author_sort Nakanishi, Waka
collection PubMed
description Single crystals of a macrocyclic hydro­carbon, [6]cyclo-2,7-naphthyl­ene ([6]CNAP, C(60)H(36)) were prepared from anthracene melt with a prolonged time for the recrystallization. The crystal of improved quality led to the correction of the space-group assignment to Cmca from [Image: see text] in the original determination [Nakanishi et al. (2011 ▶) Angew. Chem. Int. Ed. 50, 5323–5326] and the refinement of anisotropic displacement parameters of all C atoms. The refined mol­ecular structure with C (2h) point symmetry indicated that the strain on the naphthyl rings of [6]CNAP is smallest among the congeners. Despite the large macrocyclic structure, mol­ecules are packed in a ubiquitous herringbone motif. A short C—C distance of 3.119 (4) Å was found in the stacking direction, and a short C—H distance of 2.80 Å was found in the inter­columnar contact.
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spelling pubmed-31520342011-08-11 [6]Cyclo-2,7-naphthyl­ene: a redetermination Nakanishi, Waka Xue, Jing Yang Yoshioka, Tomoaki Isobe, Hiroyuki Acta Crystallogr Sect E Struct Rep Online Organic Papers Single crystals of a macrocyclic hydro­carbon, [6]cyclo-2,7-naphthyl­ene ([6]CNAP, C(60)H(36)) were prepared from anthracene melt with a prolonged time for the recrystallization. The crystal of improved quality led to the correction of the space-group assignment to Cmca from [Image: see text] in the original determination [Nakanishi et al. (2011 ▶) Angew. Chem. Int. Ed. 50, 5323–5326] and the refinement of anisotropic displacement parameters of all C atoms. The refined mol­ecular structure with C (2h) point symmetry indicated that the strain on the naphthyl rings of [6]CNAP is smallest among the congeners. Despite the large macrocyclic structure, mol­ecules are packed in a ubiquitous herringbone motif. A short C—C distance of 3.119 (4) Å was found in the stacking direction, and a short C—H distance of 2.80 Å was found in the inter­columnar contact. International Union of Crystallography 2011-06-22 /pmc/articles/PMC3152034/ /pubmed/21837143 http://dx.doi.org/10.1107/S1600536811023427 Text en © Nakanishi et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Nakanishi, Waka
Xue, Jing Yang
Yoshioka, Tomoaki
Isobe, Hiroyuki
[6]Cyclo-2,7-naphthyl­ene: a redetermination
title [6]Cyclo-2,7-naphthyl­ene: a redetermination
title_full [6]Cyclo-2,7-naphthyl­ene: a redetermination
title_fullStr [6]Cyclo-2,7-naphthyl­ene: a redetermination
title_full_unstemmed [6]Cyclo-2,7-naphthyl­ene: a redetermination
title_short [6]Cyclo-2,7-naphthyl­ene: a redetermination
title_sort [6]cyclo-2,7-naphthyl­ene: a redetermination
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152034/
https://www.ncbi.nlm.nih.gov/pubmed/21837143
http://dx.doi.org/10.1107/S1600536811023427
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