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1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate
In the title compound, C(20)H(19)N(2) (+)·PF(6) (−), the two benzocyclobutene units are essentially planar and they form dihedral angles of 38.0 (2) and 72.7 (2)°, with the central imidazolium ring. In the crystal structure, weak C—H⋯π and π-–π stacking interactions [centroid–centroid distance = 3...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2008
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960209/ https://www.ncbi.nlm.nih.gov/pubmed/21201461 http://dx.doi.org/10.1107/S1600536807067086 |
| _version_ | 1782188684383092736 |
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| author | Zhu, Fang-Hua Yang, Jun-Xiao Mao, Zhi-Hua Xie, Ru-Gang |
| author_facet | Zhu, Fang-Hua Yang, Jun-Xiao Mao, Zhi-Hua Xie, Ru-Gang |
| author_sort | Zhu, Fang-Hua |
| collection | PubMed |
| description | In the title compound, C(20)H(19)N(2) (+)·PF(6) (−), the two benzocyclobutene units are essentially planar and they form dihedral angles of 38.0 (2) and 72.7 (2)°, with the central imidazolium ring. In the crystal structure, weak C—H⋯π and π-–π stacking interactions [centroid–centroid distance = 3.742 (2) Å] contribute to the stability of the crystal structure. The PF(6) (−) ion is disordered over two positions with site occupancies of 0.869 (9) and 0.131 (9). |
| format | Text |
| id | pubmed-2960209 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2008 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29602092010-12-30 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate Zhu, Fang-Hua Yang, Jun-Xiao Mao, Zhi-Hua Xie, Ru-Gang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(19)N(2) (+)·PF(6) (−), the two benzocyclobutene units are essentially planar and they form dihedral angles of 38.0 (2) and 72.7 (2)°, with the central imidazolium ring. In the crystal structure, weak C—H⋯π and π-–π stacking interactions [centroid–centroid distance = 3.742 (2) Å] contribute to the stability of the crystal structure. The PF(6) (−) ion is disordered over two positions with site occupancies of 0.869 (9) and 0.131 (9). International Union of Crystallography 2008-01-11 /pmc/articles/PMC2960209/ /pubmed/21201461 http://dx.doi.org/10.1107/S1600536807067086 Text en © Zhu et al. 2008 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 Zhu, Fang-Hua Yang, Jun-Xiao Mao, Zhi-Hua Xie, Ru-Gang 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate |
| title | 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate |
| title_full | 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate |
| title_fullStr | 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate |
| title_full_unstemmed | 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate |
| title_short | 1-[Bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate |
| title_sort | 1-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]-3-[bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl]imidazolium hexafluorophosphate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960209/ https://www.ncbi.nlm.nih.gov/pubmed/21201461 http://dx.doi.org/10.1107/S1600536807067086 |
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