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


Colak S., Yildiz S. Z. , Delibas N. C. , Piskin H., HÖKELEK T.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.71, ss.1042-1050, 2015 (ESCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 71
  • Basım Tarihi: 2015
  • Doi Numarası: 10.1107/s2056989015014991
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Sayfa Sayıları: ss.1042-1050

Özet

In the title compound, C20H20N4O2 center dot H2O, the planes of the phenoxy and phthalonitrile rings are oriented at a dihedral angle of 60.39 (5)degrees. The 3-(dimethylamino) propyl chain has an extended conformation and is cis with respect to the phthalonitrile ring. In the crystal, O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds link the molecules to form slabs parallel to (100). There are also C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds and C-H center dot center dot center dot pi interactions present within the slabs. The slabs are linked by a pair of inversion-related C-H center dot center dot center dot N hydrogen bonds, involving phthalonitrile rings, forming a three-dimensional structure.