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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...

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Autores principales: Devarajegowda, H. C., Palakshamurthy, B. S., Harishkumar, H. N., Suchetan, P. A., Sreenivasa, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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