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Crystal structure of 4-(3,4-di-cyano-phen-oxy)-N-[3-(di-methyl-amino)-prop-yl]benzamide mono-hydrate: a phen-oxy-phthalo-nitrile derivative.

ABSTRACT: In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39?(5)°. The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring. In the crystal, O-H?O, O-H?N and N-H?O hydrogen bonds link the mol-ecules to form slabs parallel to (100). There are also C-H?O and C-H?N hydrogen bonds and C-H?? inter-actions present within the slabs. The slabs are linked by a pair of inversion-related C-H?N hydrogen bonds, involving phthalo-nitrile rings, forming a three-dimensional structure.

SUBMITTER: Colak S 

PROVIDER: S-EPMC4555371 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 4-(3,4-di-cyano-phen-oxy)-N-[3-(di-methyl-amino)-prop-yl]benzamide mono-hydrate: a phen-oxy-phthalo-nitrile derivative.

Çolak Senem S   Yıldız Salih Zeki SZ   Çaylak Delibaş Nagihan N   Pişkin Hasan H   Hökelek Tuncer T  

Acta crystallographica. Section E, Crystallographic communications 20150815 Pt 9

In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring. In the crystal, O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules to form slabs parallel to (100). There are also C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions present within the slabs. The slabs are linked by a pair of inv  ...[more]

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