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 and...

Full description

Saved in:
Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-09, Vol.71 (9), p.1042-1044
Main Authors: Çolak, Senem, Yıldız, Salih Zeki, Çaylak Delibaş, Nagihan, Pişkin, Hasan, Hökelek, Tuncer
Format: Article
Language:English
Subjects:
amido amine derivatives
crystal structure
hydrogen bonding
phthalonitrile derivatives
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989015014991