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Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde
The title compound, C(20)H(18)O(3), crystallizes in the space group P2(1)/c with one molecule in the asymmetric unit of the cell. The fluorene skeleton is nearly planar and the crystal structure is composed of molecular layers extending parallel to the (302) plane. Within a layer, one formyl oxyge...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8491529/ https://www.ncbi.nlm.nih.gov/pubmed/34667632 http://dx.doi.org/10.1107/S2056989021009464 |
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author | Seidel, Pierre Schwarzer, Anke Mazik, Monika |
author_facet | Seidel, Pierre Schwarzer, Anke Mazik, Monika |
author_sort | Seidel, Pierre |
collection | PubMed |
description | The title compound, C(20)H(18)O(3), crystallizes in the space group P2(1)/c with one molecule in the asymmetric unit of the cell. The fluorene skeleton is nearly planar and the crystal structure is composed of molecular layers extending parallel to the (302) plane. Within a layer, one formyl oxygen atom participates in the formation of a C(arene)—H⋯O bond, which is responsible for the formation of an inversion symmetric supramolecular motif of graph set R (2) (2)(10). A second oxygen atom is involved in an intramolecular C(arene)—H⋯O hydrogen bond and is further connected with a formyl hydrogen atom of an adjacent molecule. A Hirshfeld surface analysis indicated that the most important contributions to the overall surface are from H⋯H (46.9%), O⋯H (27.9%) and C⋯H (17.8%) interactions. |
format | Online Article Text |
id | pubmed-8491529 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-84915292021-10-18 Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde Seidel, Pierre Schwarzer, Anke Mazik, Monika Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(20)H(18)O(3), crystallizes in the space group P2(1)/c with one molecule in the asymmetric unit of the cell. The fluorene skeleton is nearly planar and the crystal structure is composed of molecular layers extending parallel to the (302) plane. Within a layer, one formyl oxygen atom participates in the formation of a C(arene)—H⋯O bond, which is responsible for the formation of an inversion symmetric supramolecular motif of graph set R (2) (2)(10). A second oxygen atom is involved in an intramolecular C(arene)—H⋯O hydrogen bond and is further connected with a formyl hydrogen atom of an adjacent molecule. A Hirshfeld surface analysis indicated that the most important contributions to the overall surface are from H⋯H (46.9%), O⋯H (27.9%) and C⋯H (17.8%) interactions. International Union of Crystallography 2021-09-17 /pmc/articles/PMC8491529/ /pubmed/34667632 http://dx.doi.org/10.1107/S2056989021009464 Text en © Seidel 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 Seidel, Pierre Schwarzer, Anke Mazik, Monika Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde |
title | Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde |
title_full | Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde |
title_fullStr | Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde |
title_full_unstemmed | Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde |
title_short | Crystal structure of 9,9-diethyl-9H-fluorene-2,4,7-tricarbaldehyde |
title_sort | crystal structure of 9,9-diethyl-9h-fluorene-2,4,7-tricarbaldehyde |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8491529/ https://www.ncbi.nlm.nih.gov/pubmed/34667632 http://dx.doi.org/10.1107/S2056989021009464 |
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