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Crystal structure of diaquabis 4 tert butylbenzoato O bis nicotinamide N1 cobalt II dihydrate      
Yazarlar
Gülçin Şefiye Aşkın
Türkiye
Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Safiye Özkaya
Türkiye
Raziye Çatak Çelik
Türkiye
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Özet
The asymmetric unit of the mononuclear cobalt complex, [Co(C11H13O2)2- (C6H6N2O)2(H2O)2].2H2O, contains one half of the complex molecule, one coordinating and one non-coordinating water molecule, one 4-tert-butylbenzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co atom lies on an inversion centre. All ligands coordinating to the Co atom are monodentate. The four nearest O atoms around the Co atom form a slightly distorted square-planar arrangement, with the distorted octahedral coordination completed by the two pyridine N atoms of the NA ligands at distances of 2.1638 (11) Å . The coordinating water molecules are hydrogen bonded to the carboxyl O atoms [O ⋯ O = 2.6230 (17) Å ], enclosing an S(6) hydrogenbonding motif, while intermolecular O-H⋯O hydrogen bonds link two of the non-coordinating water molecules to the coordinating water molecules and NA anions. The dihedral angle between the planar carboxylate group and the adjacent benzene ring is 29.09 (10)°, while the benzene and pyridine rings are oriented at a dihedral angle of 88.53 (4)°. In the crystal, O-H⋯O and N- H⋯O hydrogen bonds link the molecules, enclosing R22(8), R22(10) and R44(12) ring motifs, forming layers parallel to (001). The C and H atoms of the tert-butyl group of the TBB ligand are disordered over two sets of sites with an occupancy ratio of 0.631 (5):0.369 (5).
Anahtar Kelimeler
crystal structure,cobalt(II),transition metal complexes,benzoic acid,nicotinamide
Makale Türü Özgün Makale
Makale Alt Türü ESCI dergilerinde yayımlanan tam makale
Dergi Adı Acta Crystallographica Section E Crystallographic Communications
Dergi ISSN 2056-9890
Dergi Tarandığı Indeksler ESCI: Emerging Sources Citation Index
Makale Dili İngilizce
Basım Tarihi 07-2016
Cilt No 72
Sayı 7
Sayfalar 888 / 891
Doi Numarası 10.1107/S2056989016008689
Makale Linki http://scripts.iucr.org/cgi-bin/paper?S2056989016008689