4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate

In the title compound, C(15)H(13)F(3)N(2)O(2)·H(2)O, the dihedral angle between the benzene and pyridine rings is 74.97 (1)°. The –CF(3) group attached to the benzene ring is syn to the C=O bond in the adjacent side chain. In the crystal, mol­ecules are linked to one another through the water mol­ec...

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Autores principales: Sreenivasa, S., Mohan, N. R., Kumar, Vijith, Palakshamurthy, B. S., Arunakumar, D. B., Suchetan, P. A.
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/PMC3884365/
https://www.ncbi.nlm.nih.gov/pubmed/24454141
http://dx.doi.org/10.1107/S1600536813029103
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author Sreenivasa, S.
Mohan, N. R.
Kumar, Vijith
Palakshamurthy, B. S.
Arunakumar, D. B.
Suchetan, P. A.
author_facet Sreenivasa, S.
Mohan, N. R.
Kumar, Vijith
Palakshamurthy, B. S.
Arunakumar, D. B.
Suchetan, P. A.
author_sort Sreenivasa, S.
collection PubMed
description In the title compound, C(15)H(13)F(3)N(2)O(2)·H(2)O, the dihedral angle between the benzene and pyridine rings is 74.97 (1)°. The –CF(3) group attached to the benzene ring is syn to the C=O bond in the adjacent side chain. In the crystal, mol­ecules are linked to one another through the water mol­ecules by strong N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, forming a ladder-type network. The benzamide mol­ecules are also linked to one another through C—H⋯F inter­actions, forming C(6) chains parallel to the b-axis direction. Aromatic π–π stacking inter­actions [centroid–centroid separations = 3.7150 (1) and 3.7857 (1) Å] between adjacent pairs of pyridine and benzene rings are also observed, resulting in a three-dimensional architecture are also observed.
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spelling pubmed-38843652014-01-17 4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate Sreenivasa, S. Mohan, N. R. Kumar, Vijith Palakshamurthy, B. S. Arunakumar, D. B. Suchetan, P. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(13)F(3)N(2)O(2)·H(2)O, the dihedral angle between the benzene and pyridine rings is 74.97 (1)°. The –CF(3) group attached to the benzene ring is syn to the C=O bond in the adjacent side chain. In the crystal, mol­ecules are linked to one another through the water mol­ecules by strong N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds, forming a ladder-type network. The benzamide mol­ecules are also linked to one another through C—H⋯F inter­actions, forming C(6) chains parallel to the b-axis direction. Aromatic π–π stacking inter­actions [centroid–centroid separations = 3.7150 (1) and 3.7857 (1) Å] between adjacent pairs of pyridine and benzene rings are also observed, resulting in a three-dimensional architecture are also observed. International Union of Crystallography 2013-10-31 /pmc/articles/PMC3884365/ /pubmed/24454141 http://dx.doi.org/10.1107/S1600536813029103 Text en © Sreenivasa 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
Sreenivasa, S.
Mohan, N. R.
Kumar, Vijith
Palakshamurthy, B. S.
Arunakumar, D. B.
Suchetan, P. A.
4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate
title 4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate
title_full 4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate
title_fullStr 4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate
title_full_unstemmed 4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate
title_short 4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate
title_sort 4-meth­oxy-n-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884365/
https://www.ncbi.nlm.nih.gov/pubmed/24454141
http://dx.doi.org/10.1107/S1600536813029103
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