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5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole)
The title molecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-molecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These molecules are π-stacked along the crystallogr...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239005/ https://www.ncbi.nlm.nih.gov/pubmed/22199854 http://dx.doi.org/10.1107/S1600536811048513 |
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author | Wang, Haitao Jia, Xiaoshi Qu, Songnan Bai, Binglian Li, Min |
author_facet | Wang, Haitao Jia, Xiaoshi Qu, Songnan Bai, Binglian Li, Min |
author_sort | Wang, Haitao |
collection | PubMed |
description | The title molecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-molecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These molecules are π-stacked along the crystallographic a axis, with an interplanar distance of 3.337 (1) Å. Adjacent molecules are slipped from the ‘ideal’ cofacial π-stack in both the long and short molecular axis (the long molecular axis is defined as the line through the naphthalene C atom in the 6-position and the molecular center, the short molecular axis is in the molecular plane perpendicular to it). The slip distance along the long molecular axis (S (1)) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S (2), along the short molecular axis) is 1.159 (8) Å. |
format | Online Article Text |
id | pubmed-3239005 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32390052011-12-23 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) Wang, Haitao Jia, Xiaoshi Qu, Songnan Bai, Binglian Li, Min Acta Crystallogr Sect E Struct Rep Online Organic Papers The title molecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-molecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These molecules are π-stacked along the crystallographic a axis, with an interplanar distance of 3.337 (1) Å. Adjacent molecules are slipped from the ‘ideal’ cofacial π-stack in both the long and short molecular axis (the long molecular axis is defined as the line through the naphthalene C atom in the 6-position and the molecular center, the short molecular axis is in the molecular plane perpendicular to it). The slip distance along the long molecular axis (S (1)) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S (2), along the short molecular axis) is 1.159 (8) Å. International Union of Crystallography 2011-11-19 /pmc/articles/PMC3239005/ /pubmed/22199854 http://dx.doi.org/10.1107/S1600536811048513 Text en © Wang 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 Wang, Haitao Jia, Xiaoshi Qu, Songnan Bai, Binglian Li, Min 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
title | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
title_full | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
title_fullStr | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
title_full_unstemmed | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
title_short | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
title_sort | 5,5′-bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239005/ https://www.ncbi.nlm.nih.gov/pubmed/22199854 http://dx.doi.org/10.1107/S1600536811048513 |
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