Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate

In the title compound, C(7)H(6)F(3)NO(2), all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the mol­ecules are linked into inversion dimers by pairs of C—H⋯F inter­actions, forming R (2) (2)(10) loops. These dimers are connected into C(6) chain...

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Detalles Bibliográficos
Autores principales: Suchetan, P. A., Sreenivasa, S., Palakshamurthy, B. S., ManojKumar, K. E., Madan Kumar, S, Lokanath, N. K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790426/
https://www.ncbi.nlm.nih.gov/pubmed/24098245
http://dx.doi.org/10.1107/S160053681302549X
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author Suchetan, P. A.
Sreenivasa, S.
Palakshamurthy, B. S.
ManojKumar, K. E.
Madan Kumar, S
Lokanath, N. K.
author_facet Suchetan, P. A.
Sreenivasa, S.
Palakshamurthy, B. S.
ManojKumar, K. E.
Madan Kumar, S
Lokanath, N. K.
author_sort Suchetan, P. A.
collection PubMed
description In the title compound, C(7)H(6)F(3)NO(2), all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the mol­ecules are linked into inversion dimers by pairs of C—H⋯F inter­actions, forming R (2) (2)(10) loops. These dimers are connected into C(6) chains along [001] through N—H⋯O hydrogen bonds. Aromatic π–π stacking inter­actions [centroid-centroid separation = 3.8416 (10) A°] connect the mol­ecules into a three-dimensional network.
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spelling pubmed-37904262013-10-04 Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate Suchetan, P. A. Sreenivasa, S. Palakshamurthy, B. S. ManojKumar, K. E. Madan Kumar, S Lokanath, N. K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(7)H(6)F(3)NO(2), all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the mol­ecules are linked into inversion dimers by pairs of C—H⋯F inter­actions, forming R (2) (2)(10) loops. These dimers are connected into C(6) chains along [001] through N—H⋯O hydrogen bonds. Aromatic π–π stacking inter­actions [centroid-centroid separation = 3.8416 (10) A°] connect the mol­ecules into a three-dimensional network. International Union of Crystallography 2013-09-18 /pmc/articles/PMC3790426/ /pubmed/24098245 http://dx.doi.org/10.1107/S160053681302549X Text en © Suchetan 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
Suchetan, P. A.
Sreenivasa, S.
Palakshamurthy, B. S.
ManojKumar, K. E.
Madan Kumar, S
Lokanath, N. K.
Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate
title Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate
title_full Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate
title_fullStr Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate
title_full_unstemmed Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate
title_short Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate
title_sort methyl 4-(tri­fluoro­meth­yl)-1h-pyrrole-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790426/
https://www.ncbi.nlm.nih.gov/pubmed/24098245
http://dx.doi.org/10.1107/S160053681302549X
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AT manojkumarke methyl4trifluoromethyl1hpyrrole3carboxylate
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