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Diaqua-bis-(N,N-diethyl-nicotinamide-?N(1))bis-(4-formyl-benzoato-?O(1))zinc.


ABSTRACT: In the title complex, [Zn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate anions, two N,N-diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.96?(11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26?(4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H?O hydrogen bond. In the crystal, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. A ?-? contact between the parallel pyridine rings of adjacent mol-ecules may further stabilize the crystal structure [centroid-centroid distance = 3.5654?(8)?Å].

SUBMITTER: Sertcelik M 

PROVIDER: S-EPMC3414129 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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Diaqua-bis-(N,N-diethyl-nicotinamide-κN(1))bis-(4-formyl-benzoato-κO(1))zinc.

Sertçelik Mustafa M   Caylak Delibaş Nagihan N   Necefoğlu Hacali H   Hökelek Tuncer T  

Acta crystallographica. Section E, Structure reports online 20120714 Pt 8


In the title complex, [Zn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate anions, two N,N-diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. Th  ...[more]

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