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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 |
Sumario: | 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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