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Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative

In the title compound, C(20)H(20)N(4)O(2)·H(2)O, the planes of the phen­oxy and phthalo­nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di­­methyl­amino)­propyl chain has an extended conformation and is cis with respect to the phthalo­nitrile ring. In the crystal, O—H⋯O, O—H⋯N a...

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Autores principales: Çolak, Senem, Yıldız, Salih Zeki, Çaylak Delibaş, Nagihan, Pişkin, Hasan, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555371/
https://www.ncbi.nlm.nih.gov/pubmed/26396843
http://dx.doi.org/10.1107/S2056989015014991
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author Çolak, Senem
Yıldız, Salih Zeki
Çaylak Delibaş, Nagihan
Pişkin, Hasan
Hökelek, Tuncer
author_facet Çolak, Senem
Yıldız, Salih Zeki
Çaylak Delibaş, Nagihan
Pişkin, Hasan
Hökelek, Tuncer
author_sort Çolak, Senem
collection PubMed
description In the title compound, C(20)H(20)N(4)O(2)·H(2)O, the planes of the phen­oxy and phthalo­nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di­­methyl­amino)­propyl chain has an extended conformation and is cis with respect to the phthalo­nitrile ring. In the crystal, O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds link the mol­ecules to form slabs parallel to (100). There are also C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π inter­actions present within the slabs. The slabs are linked by a pair of inversion-related C—H⋯N hydrogen bonds, involving phthalo­nitrile rings, forming a three-dimensional structure.
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spelling pubmed-45553712015-09-22 Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative Çolak, Senem Yıldız, Salih Zeki Çaylak Delibaş, Nagihan Pişkin, Hasan Hökelek, Tuncer Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(20)H(20)N(4)O(2)·H(2)O, the planes of the phen­oxy and phthalo­nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di­­methyl­amino)­propyl chain has an extended conformation and is cis with respect to the phthalo­nitrile ring. In the crystal, O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds link the mol­ecules to form slabs parallel to (100). There are also C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π inter­actions present within the slabs. The slabs are linked by a pair of inversion-related C—H⋯N hydrogen bonds, involving phthalo­nitrile rings, forming a three-dimensional structure. International Union of Crystallography 2015-08-15 /pmc/articles/PMC4555371/ /pubmed/26396843 http://dx.doi.org/10.1107/S2056989015014991 Text en © Çolak 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 Research Communications
Çolak, Senem
Yıldız, Salih Zeki
Çaylak Delibaş, Nagihan
Pişkin, Hasan
Hökelek, Tuncer
Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative
title Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative
title_full Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative
title_fullStr Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative
title_full_unstemmed Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative
title_short Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative
title_sort crystal structure of 4-(3,4-di­cyano­phen­oxy)-n-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555371/
https://www.ncbi.nlm.nih.gov/pubmed/26396843
http://dx.doi.org/10.1107/S2056989015014991
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