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Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN1)bis­(2,4,6-tri­methyl­benzoato-κO)manganese(II)       
Yazarlar
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Safiye Özkaya
Türkiye
Prof. Dr. Hacali NECEFOĞLU Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Özet
In the title centrosymmetric complex, [Mn(C10 H11 O2)2 (C10 H14 N2 O)2 (H2 O)2 ], the Mn II cation is located on an inversion centre. The four O atoms form a slightly distorted square-planar arrangement around the Mn II cation, and the distorted octahedral coordination is completed by two pyridine N atoms at distances of 2.3289(15)Å. The dihedral angle between the planar carboxylate group and the adjacent benzene ring is 87.73(16)°, while the benzene and pyridine rings are oriented at a dihedral angle of 43.03(8)°. In the crystal, the water molecules are involved in both intramolecular (to the non-coordinating carboxylate O atom) and intermolecular (to the amide carbonyl O atom) O - H...O hydrogen bonds. The latter lead to the formation of layers parallel to (100). These layers are further linked via weak C - H...O hydrogen bonds, resulting in a three-dimensional supramolecular network. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (70.0%), H...O/O...H (15.5%) and H...C/C...H (14.0%) interactions. One of the ethyl groups of the diethylnicotinamide ligand is disordered over two sets of sites, with an occupancy ratio of 0.282(10):0.718(10).
Anahtar Kelimeler
crystal structure | manganese(II) | transition metal complexes of benzoic acid and nicotinamide derivatives
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 Emerging Sources Citation Index
Makale Dili İngilizce
Basım Tarihi 04-2018
Cilt No 74
Sayı 4
Sayfalar 422 / 427
Doi Numarası 10.1107/S2056989018003377
Makale Linki http://scripts.iucr.org/cgi-bin/paper?S2056989018003377