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Crystal structure of trans-di-aqua-bis-(4-cyano-benzoato-?O)bis-(N,N-di-ethyl-nicotinamide-?N)cadmium.

ABSTRACT: The mononuclear title cadmium complex, [Cd(C10H14N2O)2(C8H4NO2)2(H2O)2], is centrosymmetric and contains two water mol-ecules, two 4-cyanobenzoate (CB) ligands and two di-ethyl-nicotinamide (DENA) ligands. All the ligands are coordinated to the CdII atom in a monodentate mode. The four nearest O atoms around the CdII atom form a slightly distorted square-planar arrangement, with the distorted octa-hedral coordination sphere being completed by the two pyridine N atoms of the DENA ligands at distances of 2.3336?(13)?Å. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 8.75?(16)°, while the benzene and pyridine rings are oriented at a dihedral angle of 57.83?(5)°. The water mol-ecules exhibit both intra-molecular [to the non-coordinating carboxyl-ate O atom, enclosing an S(6) hydrogen-bonding motif, where O?O = 2.670?(2)?Å] and inter-molecular [to the amide carbonyl O atom, enclosing an R22(16) ring motif, where O?O = 2.781?(2)?Å] O-H?O hydrogen bonds. The latter lead to the formation of supra-molecular chains propagating along [110].

SUBMITTER: Akduran N 

PROVIDER: S-EPMC5137619 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of <i>trans</i>-di-aqua-bis-(4-cyano-benzoato-κ<i>O</i>)bis-(<i>N</i>,<i>N</i>-di-ethyl-nicotinamide-κ<i>N</i>)cadmium.

Akduran Nurcan N   Sertçelik Mustafa M   Aydoğdu Ömer Ö   Necefoğlu Hacali H   Hökelek Tuncer T  

Acta crystallographica. Section E, Crystallographic communications 20161118 Pt 12

The mononuclear title cadmium complex, [Cd(C<sub>10</sub>H<sub>14</sub>N<sub>2</sub>O)<sub>2</sub>(C<sub>8</sub>H<sub>4</sub>NO<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], is centrosymmetric and contains two water mol-ecules, two 4-cyanobenzoate (CB) ligands and two di-ethyl-nicotinamide (DENA) ligands. All the ligands are coordinated to the Cd<sup>II</sup> atom in a monodentate mode. The four nearest O atoms around the Cd<sup>II</sup> atom form a slightly distorted square-planar arra  ...[more]

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