4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate
The title compound, C31H27F3O7, is a liquid crystal and exhibits enantiotropic SmA and nematic phase transitions. In the crystal, the the 2H-chromene ring system makes dihedral angles of 54.46 (17) and 7.79 (16)°, respectively, with the central benzene ring and 4-(heptyl...
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| Language: | English |
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International Union of Crystallography
2013-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813020679 |
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doaj-b9bb4b00aba440aeaf54505d80b9350c2020-11-25T00:14:19ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-08-01698o1355o135610.1107/S16005368130206794-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylateS. SreenivasaH. N. HarishkumarP. A. SuchetanB. S. PalakshamurthyH. C. DevarajegowdaThe title compound, C31H27F3O7, is a liquid crystal and exhibits enantiotropic SmA and nematic phase transitions. In the crystal, the the 2H-chromene ring system makes dihedral angles of 54.46 (17) and 7.79 (16)°, respectively, with the central benzene ring and 4-(heptyloxy)benzene ring. The three F atoms of the –CF3 group are disordered over two sets of sites, with an occupancy ratio of 0.62 (3):0.38 (3). The crystal structre features two pairs of C—H...O hydrogen bonds, which form inversion dimers and generate R22(10) and R22(30) ring patterns. C—H...O interactions along [100] and C—H...π interactions futher consolidate the packing, leading to a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S1600536813020679 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
S. Sreenivasa H. N. Harishkumar P. A. Suchetan B. S. Palakshamurthy H. C. Devarajegowda |
| spellingShingle |
S. Sreenivasa H. N. Harishkumar P. A. Suchetan B. S. Palakshamurthy H. C. Devarajegowda 4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate Acta Crystallographica Section E |
| author_facet |
S. Sreenivasa H. N. Harishkumar P. A. Suchetan B. S. Palakshamurthy H. C. Devarajegowda |
| author_sort |
S. Sreenivasa |
| title |
4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate |
| title_short |
4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate |
| title_full |
4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate |
| title_fullStr |
4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate |
| title_full_unstemmed |
4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate |
| title_sort |
4-[4-(heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2h-chromene-3-carboxylate |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2013-08-01 |
| description |
The title compound, C31H27F3O7, is a liquid crystal and exhibits enantiotropic SmA and nematic phase transitions. In the crystal, the the 2H-chromene ring system makes dihedral angles of 54.46 (17) and 7.79 (16)°, respectively, with the central benzene ring and 4-(heptyloxy)benzene ring. The three F atoms of the –CF3 group are disordered over two sets of sites, with an occupancy ratio of 0.62 (3):0.38 (3). The crystal structre features two pairs of C—H...O hydrogen bonds, which form inversion dimers and generate R22(10) and R22(30) ring patterns. C—H...O interactions along [100] and C—H...π interactions futher consolidate the packing, leading to a three-dimensional network. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536813020679 |
| work_keys_str_mv |
AT ssreenivasa 44heptyloxybenzoyloxyphenyl2oxo7trifluoromethyl2hchromene3carboxylate AT hnharishkumar 44heptyloxybenzoyloxyphenyl2oxo7trifluoromethyl2hchromene3carboxylate AT pasuchetan 44heptyloxybenzoyloxyphenyl2oxo7trifluoromethyl2hchromene3carboxylate AT bspalakshamurthy 44heptyloxybenzoyloxyphenyl2oxo7trifluoromethyl2hchromene3carboxylate AT hcdevarajegowda 44heptyloxybenzoyloxyphenyl2oxo7trifluoromethyl2hchromene3carboxylate |
| _version_ |
1725391107651534848 |