Abstract
In the crystal structures of the fully and partially fluorinated flavone derivatives 5,6,7,8-tetra-fluoro-2-(2,3,4,5,6-penta-fluoro-phen-yl)-4H-1- benzopyran-4-one, C 15HF 9O 2, (I), and 5,6,7,8-tetra-fluoro-2-phenyl-4H-1-benzopyran-4-one, C 15H 6F 4O 2, (II), the penta-fluoro-phenyl group and the pyran-one moiety in (I) are twisted due to repulsion of the F substituents, and a CO(δ -)⋯π(δ +) inter-molecular inter-action is observed between the carbonyl O atom and the penta-fluoro-phenyl group. In (II), on the other hand, the phenyl group and the pyran-one moiety are almost coplanar, and arene-perfluoro-arene inter-actions are observed in the head-to-tail inter-molecular columnar stacking between the phenyl group and the tetra-fluoro-phenyl-ene moiety.
| Original language | English |
|---|---|
| Journal | Acta Crystallographica Section C: Crystal Structure Communications |
| Volume | 66 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - 2010 Apr 22 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)
Cite this
Fully and partially fluorinated flavone derivatives. / Hori, Akiko; Naganuma, Kohei.
In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 66, No. 5, 22.04.2010.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Fully and partially fluorinated flavone derivatives
AU - Hori, Akiko
AU - Naganuma, Kohei
PY - 2010/4/22
Y1 - 2010/4/22
N2 - In the crystal structures of the fully and partially fluorinated flavone derivatives 5,6,7,8-tetra-fluoro-2-(2,3,4,5,6-penta-fluoro-phen-yl)-4H-1- benzopyran-4-one, C 15HF 9O 2, (I), and 5,6,7,8-tetra-fluoro-2-phenyl-4H-1-benzopyran-4-one, C 15H 6F 4O 2, (II), the penta-fluoro-phenyl group and the pyran-one moiety in (I) are twisted due to repulsion of the F substituents, and a CO(δ -)⋯π(δ +) inter-molecular inter-action is observed between the carbonyl O atom and the penta-fluoro-phenyl group. In (II), on the other hand, the phenyl group and the pyran-one moiety are almost coplanar, and arene-perfluoro-arene inter-actions are observed in the head-to-tail inter-molecular columnar stacking between the phenyl group and the tetra-fluoro-phenyl-ene moiety.
AB - In the crystal structures of the fully and partially fluorinated flavone derivatives 5,6,7,8-tetra-fluoro-2-(2,3,4,5,6-penta-fluoro-phen-yl)-4H-1- benzopyran-4-one, C 15HF 9O 2, (I), and 5,6,7,8-tetra-fluoro-2-phenyl-4H-1-benzopyran-4-one, C 15H 6F 4O 2, (II), the penta-fluoro-phenyl group and the pyran-one moiety in (I) are twisted due to repulsion of the F substituents, and a CO(δ -)⋯π(δ +) inter-molecular inter-action is observed between the carbonyl O atom and the penta-fluoro-phenyl group. In (II), on the other hand, the phenyl group and the pyran-one moiety are almost coplanar, and arene-perfluoro-arene inter-actions are observed in the head-to-tail inter-molecular columnar stacking between the phenyl group and the tetra-fluoro-phenyl-ene moiety.
UR - http://www.scopus.com/inward/record.url?scp=77951956670&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=77951956670&partnerID=8YFLogxK
U2 - 10.1107/S0108270110013387
DO - 10.1107/S0108270110013387
M3 - Article
C2 - 20442510
AN - SCOPUS:77951956670
VL - 66
JO - Acta Crystallographica Section C: Crystal Structure Communications
JF - Acta Crystallographica Section C: Crystal Structure Communications
SN - 0108-2701
IS - 5
ER -