Crystal structure of 4-(3,4-dicyanophenoxy)-N-[3-(dimethylamino)propyl]benzamide monohydrate: a phenoxyphthalonitrile derivative
In the title compound, C20H20N4O2·H2O, 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 hy...
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International Union of Crystallography
2015-09-01
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doaj-6d092afb202842c9bfc99f93f180542c2020-11-25T00:55:12ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-09-017191042104410.1107/S2056989015014991su5187Crystal structure of 4-(3,4-dicyanophenoxy)-N-[3-(dimethylamino)propyl]benzamide monohydrate: a phenoxyphthalonitrile derivativeSenem Çolak0Salih Zeki Yıldız1Nagihan Çaylak Delibaş2Hasan Pişkin3Tuncer Hökelek4Department of Chemistry, Sakarya University, 54187 Esentepe, Sakarya, TurkeyDepartment of Chemistry, Sakarya University, 54187 Esentepe, Sakarya, TurkeyDepartment of Physics, Sakarya University, 54187 Esentepe, Sakarya, TurkeyDepartment of Physics, Sakarya University, 54187 Esentepe, Sakarya, TurkeyDepartment of Physics, Hacettepe University, 06800 Beytepe, Ankara, TurkeyIn the title compound, C20H20N4O2·H2O, 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.http://scripts.iucr.org/cgi-bin/paper?S2056989015014991crystal structureamido amine derivativesphthalonitrile derivativeshydrogen bonding |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Senem Çolak Salih Zeki Yıldız Nagihan Çaylak Delibaş Hasan Pişkin Tuncer Hökelek |
spellingShingle |
Senem Çolak Salih Zeki Yıldız Nagihan Çaylak Delibaş Hasan Pişkin Tuncer Hökelek Crystal structure of 4-(3,4-dicyanophenoxy)-N-[3-(dimethylamino)propyl]benzamide monohydrate: a phenoxyphthalonitrile derivative Acta Crystallographica Section E: Crystallographic Communications crystal structure amido amine derivatives phthalonitrile derivatives hydrogen bonding |
author_facet |
Senem Çolak Salih Zeki Yıldız Nagihan Çaylak Delibaş Hasan Pişkin Tuncer Hökelek |
author_sort |
Senem Çolak |
title |
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_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_sort |
crystal structure of 4-(3,4-dicyanophenoxy)-n-[3-(dimethylamino)propyl]benzamide monohydrate: a phenoxyphthalonitrile derivative |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E: Crystallographic Communications |
issn |
2056-9890 |
publishDate |
2015-09-01 |
description |
In the title compound, C20H20N4O2·H2O, 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. |
topic |
crystal structure amido amine derivatives phthalonitrile derivatives hydrogen bonding |
url |
http://scripts.iucr.org/cgi-bin/paper?S2056989015014991 |
work_keys_str_mv |
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