Diaquabis(N,N-diethylnicotinamide-κN1)bis(4-formylbenzoato-κO)zinc(II)
     
Yazarlar (4)
Doç. Dr. Mustafa SERTÇELİK Kafkas Üniversitesi, Türkiye
Nagihan Aylakdeliba Sakarya Üniversitesi, Türkiye
Prof. Dr. Hacali NECEFOĞLU Kafkas Üniversitesi, Türkiye
Tuncer Hökelek Hacettepe Üniversitesi, Türkiye
Makale Türü Açık Erişim Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Acta Crystallographica Section E Structure Reports Online
Dergi ISSN 1600-5368
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce Basım Tarihi 08-2012
Cilt / Sayı / Sayfa 68 / 8 / – DOI 10.1107/S1600536812031200
Makale Linki http://scripts.iucr.org/cgi-bin/paper?S1600536812031200
Özet
In the title complex, [Zn(C8H5O3) 2(C10H14N2O)2(H 2O)2], the ZnII 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 ZnII 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 π-π contact between the parallel pyridine rings of adjacent mol-ecules may further stabilize the crystal structure [centroid-centroid distance = 3.5654 (8) Å].
Anahtar Kelimeler
data-to-parameter ratio = 17.9 | mean σ(C-C) = 0.002 Å | R factor = 0.025 | single-crystal X-ray study | T = 100 K | wR factor = 0.081