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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 (3)
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
Safiye Özkaya
Kafkas Üniversitesi, Türkiye
Prof. Dr. Hacali NECEFOĞLU Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Devamını Göster
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 yayınlanan tam makale
Dergi Adı ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Dergi ISSN 2056-9890 Wos Dergi Scopus Dergi
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