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Fluorenonophane chlorobenzene solvate: molecular and crystal structures
The title compound, 1(9) H,7(9) H-3,5,9,11-tetraoxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzenacyclododecaphane-1(9),7(9)-dione (fluorenonophane), exists as a solvate with chlorobenzene, C(42)H(28)O(6)·C(6)H(5)Cl. The fluorenonophane contains two fluorenone fragments linked by two m-substituted ben...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647744/ https://www.ncbi.nlm.nih.gov/pubmed/34925899 http://dx.doi.org/10.1107/S2056989021011865 |
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author | Dyakonenko, Viktoriya V. Shishkina, Svitlana V. Bogashchenko, Tatiana Yu. Lyapunov, Alexander Yu. Kirichenko, Tatiana I. |
author_facet | Dyakonenko, Viktoriya V. Shishkina, Svitlana V. Bogashchenko, Tatiana Yu. Lyapunov, Alexander Yu. Kirichenko, Tatiana I. |
author_sort | Dyakonenko, Viktoriya V. |
collection | PubMed |
description | The title compound, 1(9) H,7(9) H-3,5,9,11-tetraoxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzenacyclododecaphane-1(9),7(9)-dione (fluorenonophane), exists as a solvate with chlorobenzene, C(42)H(28)O(6)·C(6)H(5)Cl. The fluorenonophane contains two fluorenone fragments linked by two m-substituted benzene fragments. Some decrease in its macrocyclic cavity leads to a stacking interaction between the tricyclic fluorenone fragments. In the crystal, the fluorenonophane and chlorobenzene molecules are linked by weak C—H⋯π(ring) interactions and C—H⋯Cl hydrogen bonds. The Cl atom of chlorobenzene does not form a halogen bond. A Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the intermolecular contacts found in the crystal structure. |
format | Online Article Text |
id | pubmed-8647744 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-86477442021-12-16 Fluorenonophane chlorobenzene solvate: molecular and crystal structures Dyakonenko, Viktoriya V. Shishkina, Svitlana V. Bogashchenko, Tatiana Yu. Lyapunov, Alexander Yu. Kirichenko, Tatiana I. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, 1(9) H,7(9) H-3,5,9,11-tetraoxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzenacyclododecaphane-1(9),7(9)-dione (fluorenonophane), exists as a solvate with chlorobenzene, C(42)H(28)O(6)·C(6)H(5)Cl. The fluorenonophane contains two fluorenone fragments linked by two m-substituted benzene fragments. Some decrease in its macrocyclic cavity leads to a stacking interaction between the tricyclic fluorenone fragments. In the crystal, the fluorenonophane and chlorobenzene molecules are linked by weak C—H⋯π(ring) interactions and C—H⋯Cl hydrogen bonds. The Cl atom of chlorobenzene does not form a halogen bond. A Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the intermolecular contacts found in the crystal structure. International Union of Crystallography 2021-11-12 /pmc/articles/PMC8647744/ /pubmed/34925899 http://dx.doi.org/10.1107/S2056989021011865 Text en © Dyakonenko et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Dyakonenko, Viktoriya V. Shishkina, Svitlana V. Bogashchenko, Tatiana Yu. Lyapunov, Alexander Yu. Kirichenko, Tatiana I. Fluorenonophane chlorobenzene solvate: molecular and crystal structures |
title | Fluorenonophane chlorobenzene solvate: molecular and crystal structures |
title_full | Fluorenonophane chlorobenzene solvate: molecular and crystal structures |
title_fullStr | Fluorenonophane chlorobenzene solvate: molecular and crystal structures |
title_full_unstemmed | Fluorenonophane chlorobenzene solvate: molecular and crystal structures |
title_short | Fluorenonophane chlorobenzene solvate: molecular and crystal structures |
title_sort | fluorenonophane chlorobenzene solvate: molecular and crystal structures |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647744/ https://www.ncbi.nlm.nih.gov/pubmed/34925899 http://dx.doi.org/10.1107/S2056989021011865 |
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