{2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone
In the title compound, C(40)H(44)O(3), the fluorene ring system is essentially planar, with a maximum deviation of 0.075 (3) Å, and forms dihedral angles of 70.62 (8) and 70.31 (8)° with the mean planes of the central benzene ring and the methoxyphenyl ring, respectively. Both the hexyl side chain...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393951/ https://www.ncbi.nlm.nih.gov/pubmed/22798816 http://dx.doi.org/10.1107/S1600536812026773 |
_version_ | 1782237789298884608 |
---|---|
author | Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. |
author_facet | Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. |
author_sort | Narayanan, P. |
collection | PubMed |
description | In the title compound, C(40)H(44)O(3), the fluorene ring system is essentially planar, with a maximum deviation of 0.075 (3) Å, and forms dihedral angles of 70.62 (8) and 70.31 (8)° with the mean planes of the central benzene ring and the methoxyphenyl ring, respectively. Both the hexyl side chains have different conformations, i.e. an anti–gauche–anti–gauche conformation with C—C—C—C torsion angles of −169.3 (2), 74.2 (4), −178.0 (3) and −76.0 (6)° for one hexyl side chain and an anti–anti–anti–gauche conformation with C—C—C—C torsion angles of −177.9 (2), −176.5 (3), 171.7 (4) and 80.4 (9)° for the other. Four C atoms in one and two C atoms in the other hexyl side chains are each disordered over two sets of sites, with occupancy factors of 0.761 (3):0.239 (3) and 0.660 (6):0.340 (6). In the crystal, molecules are via pairs of C—H⋯O hydrogen bonds, forming inversion dimers and resulting in R (2) (2)(28) graph-set motifs. |
format | Online Article Text |
id | pubmed-3393951 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33939512012-07-13 {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(40)H(44)O(3), the fluorene ring system is essentially planar, with a maximum deviation of 0.075 (3) Å, and forms dihedral angles of 70.62 (8) and 70.31 (8)° with the mean planes of the central benzene ring and the methoxyphenyl ring, respectively. Both the hexyl side chains have different conformations, i.e. an anti–gauche–anti–gauche conformation with C—C—C—C torsion angles of −169.3 (2), 74.2 (4), −178.0 (3) and −76.0 (6)° for one hexyl side chain and an anti–anti–anti–gauche conformation with C—C—C—C torsion angles of −177.9 (2), −176.5 (3), 171.7 (4) and 80.4 (9)° for the other. Four C atoms in one and two C atoms in the other hexyl side chains are each disordered over two sets of sites, with occupancy factors of 0.761 (3):0.239 (3) and 0.660 (6):0.340 (6). In the crystal, molecules are via pairs of C—H⋯O hydrogen bonds, forming inversion dimers and resulting in R (2) (2)(28) graph-set motifs. International Union of Crystallography 2012-06-20 /pmc/articles/PMC3393951/ /pubmed/22798816 http://dx.doi.org/10.1107/S1600536812026773 Text en © Narayanan et al. 2012 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 Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
title | {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
title_full | {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
title_fullStr | {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
title_full_unstemmed | {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
title_short | {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
title_sort | {2-[(9,9-dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393951/ https://www.ncbi.nlm.nih.gov/pubmed/22798816 http://dx.doi.org/10.1107/S1600536812026773 |
work_keys_str_mv | AT narayananp 299dihexylfluoren2ylcarbonylphenyl4methoxyphenylmethanone AT sethusankark 299dihexylfluoren2ylcarbonylphenyl4methoxyphenylmethanone AT nandakumarmeganathan 299dihexylfluoren2ylcarbonylphenyl4methoxyphenylmethanone AT mohanakrishnanarasambattuk 299dihexylfluoren2ylcarbonylphenyl4methoxyphenylmethanone |