{2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone
In the title compound, C40H44O3, 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...
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International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393951/ |
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pubmed-33939512012-07-13 {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. Organic Papers In the title compound, C40H44O3, 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. |
| spellingShingle |
Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. {2-[(9,9-Dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
| author_facet |
Narayanan, P. Sethusankar, K. Nandakumar, Meganathan Mohanakrishnan, Arasambattu K. |
| author_sort |
Narayanan, P. |
| title |
{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_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_sort |
{2-[(9,9-dihexylfluoren-2-yl)carbonyl]phenyl}(4-methoxyphenyl)methanone |
| description |
In the title compound, C40H44O3, 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. |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393951/ |
| _version_ |
1611542213527863296 |