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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4555371 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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