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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...

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Autores principales: Seidel, Pierre, Schwarzer, Anke, Mazik, Monika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
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.
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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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