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

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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.
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Document Type: Research Article

Affiliations: 1: Department of Chemistry, Sakarya University, 54187 Esentepe, Sakarya, Turkey 2: Department of Physics, Sakarya University, 54187 Esentepe, Sakarya, Turkey 3: Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey

Publication date: January 1, 2015

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