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4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate
The title compound, C(31)H(27)F(3)O(7), 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. T...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793833/ https://www.ncbi.nlm.nih.gov/pubmed/24109420 http://dx.doi.org/10.1107/S1600536813020679 |
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author | Devarajegowda, H. C. Palakshamurthy, B. S. Harishkumar, H. N. Suchetan, P. A. Sreenivasa, S. |
author_facet | Devarajegowda, H. C. Palakshamurthy, B. S. Harishkumar, H. N. Suchetan, P. A. Sreenivasa, S. |
author_sort | Devarajegowda, H. C. |
collection | PubMed |
description | The title compound, C(31)H(27)F(3)O(7), 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 –CF(3) 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 R (2) (2)(10) and R (2) (2)(30) ring patterns. C—H⋯O interactions along [100] and C—H⋯π interactions futher consolidate the packing, leading to a three-dimensional network. |
format | Online Article Text |
id | pubmed-3793833 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37938332013-10-09 4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate Devarajegowda, H. C. Palakshamurthy, B. S. Harishkumar, H. N. Suchetan, P. A. Sreenivasa, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(31)H(27)F(3)O(7), 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 –CF(3) 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 R (2) (2)(10) and R (2) (2)(30) ring patterns. C—H⋯O interactions along [100] and C—H⋯π interactions futher consolidate the packing, leading to a three-dimensional network. International Union of Crystallography 2013-07-31 /pmc/articles/PMC3793833/ /pubmed/24109420 http://dx.doi.org/10.1107/S1600536813020679 Text en © Devarajegowda et al. 2013 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 Devarajegowda, H. C. Palakshamurthy, B. S. Harishkumar, H. N. Suchetan, P. A. Sreenivasa, S. 4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate |
title | 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_short | 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 |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793833/ https://www.ncbi.nlm.nih.gov/pubmed/24109420 http://dx.doi.org/10.1107/S1600536813020679 |
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