Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate

In the title compound, C(16)H(9)BrO(4), the coumarin ring system is approximately planar, with an r.m.s deviation of the ten fitted non-H atoms of 0.031 Å, and forms a dihedral angle of 25.85 (10)° with the bromo­benzene ring. The carbonyl atoms are syn. In the crystal, mol­ecules are connected alon...

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Autores principales: Devarajegowda, H. C., Suchetan, P. A., Srinivasa, H. T., Sreenivasa, S., Palakshamurthy, B. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420041/
https://www.ncbi.nlm.nih.gov/pubmed/25995930
http://dx.doi.org/10.1107/S2056989015006738
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author Devarajegowda, H. C.
Suchetan, P. A.
Srinivasa, H. T.
Sreenivasa, S.
Palakshamurthy, B. S.
author_facet Devarajegowda, H. C.
Suchetan, P. A.
Srinivasa, H. T.
Sreenivasa, S.
Palakshamurthy, B. S.
author_sort Devarajegowda, H. C.
collection PubMed
description In the title compound, C(16)H(9)BrO(4), the coumarin ring system is approximately planar, with an r.m.s deviation of the ten fitted non-H atoms of 0.031 Å, and forms a dihedral angle of 25.85 (10)° with the bromo­benzene ring. The carbonyl atoms are syn. In the crystal, mol­ecules are connected along [001] via C—H⋯O inter­actions, forming C(6) chains. Neighbouring C(6) chains are connected via several π–π inter­actions [range of centroid–centroid distances = 3.7254 (15)–3.7716 (16) Å], leading to sheets propagating in the bc plane.
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spelling pubmed-44200412015-05-20 Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate Devarajegowda, H. C. Suchetan, P. A. Srinivasa, H. T. Sreenivasa, S. Palakshamurthy, B. S. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(16)H(9)BrO(4), the coumarin ring system is approximately planar, with an r.m.s deviation of the ten fitted non-H atoms of 0.031 Å, and forms a dihedral angle of 25.85 (10)° with the bromo­benzene ring. The carbonyl atoms are syn. In the crystal, mol­ecules are connected along [001] via C—H⋯O inter­actions, forming C(6) chains. Neighbouring C(6) chains are connected via several π–π inter­actions [range of centroid–centroid distances = 3.7254 (15)–3.7716 (16) Å], leading to sheets propagating in the bc plane. International Union of Crystallography 2015-04-22 /pmc/articles/PMC4420041/ /pubmed/25995930 http://dx.doi.org/10.1107/S2056989015006738 Text en © Devarajegowda et al. 2015 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 Data Reports
Devarajegowda, H. C.
Suchetan, P. A.
Srinivasa, H. T.
Sreenivasa, S.
Palakshamurthy, B. S.
Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate
title Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate
title_full Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate
title_fullStr Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate
title_full_unstemmed Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate
title_short Crystal structure of 4-bromo­phenyl-2-oxo-2H-chromene-3-carboxyl­ate
title_sort crystal structure of 4-bromo­phenyl-2-oxo-2h-chromene-3-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420041/
https://www.ncbi.nlm.nih.gov/pubmed/25995930
http://dx.doi.org/10.1107/S2056989015006738
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