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5,5-Bis(4-methoxy-phen-yl)-2,8-bis-[3-(trifluoro-meth-yl)phen-yl]-5H-cyclo-penta-[2,1-b:3,4-b']dipyridine.

ABSTRACT: The title compound, C(39)H(26)F(6)N(2)O(2), showed two melting transitions 477.4 and 506.5?K in a differential scanning calorimetry (DSC) study. The first of these can be attributed to a melting phase transition arising from the rotation of two trifluoro-methyl groups. In the crystal structure, both trifluoro-methyl groups are disordered over two sites with occupancy factors of 0.660?(17) and 0.340?(17) for the major and minor orientations, respectively. The introduction of trifluoro-methyl groups inhibits ?-stacking between the diaza-fluorene (cyclo-penta-[2,1-b:3,4-b']dipyridine) units. Three short F?O contacts between 2.80?(3) and 2.95?(1)?Å are observed in the crystal structure.

SUBMITTER: Ono K 

PROVIDER: S-EPMC2959745 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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5,5-Bis(4-methoxy-phen-yl)-2,8-bis-[3-(trifluoro-meth-yl)phen-yl]-5H-cyclo-penta-[2,1-b:3,4-b']dipyridine.

Ono Katsuhiko K   Tomura Masaaki M   Saito Katsuhiro K  

Acta crystallographica. Section E, Structure reports online 20081025 Pt 11

The title compound, C(39)H(26)F(6)N(2)O(2), showed two melting transitions 477.4 and 506.5 K in a differential scanning calorimetry (DSC) study. The first of these can be attributed to a melting phase transition arising from the rotation of two trifluoro-methyl groups. In the crystal structure, both trifluoro-methyl groups are disordered over two sites with occupancy factors of 0.660 (17) and 0.340 (17) for the major and minor orientations, respectively. The introduction of trifluoro-methyl grou  ...[more]

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