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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3152034 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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