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Crystal Structures of Two Aromatic Zinc(II) Carboxylates: [Zn(4-Chlorosalicylato)(2)(H(2)O)(4)]center dot 2theophylline center dot(H(2)O)(2) and Unique [Zn(5-Chlorosalicylato)(2)(isonicotinamide)(2)(H(2)O)]
Authors: Bujdosová Zuzana | Gyoryová Katarina | Růžička Aleš | Melnik Milan | Koman Marian
Year: 2011
Type of publication: článek v odborném periodiku
Name of source: Journal of Chemical Crystallography
Publisher name: Springer
Page from-to: 1077-1084
Titles:
Language Name Abstract Keywords
cze Krystalová struktura dvou aromatických Zn(II) komplexů: [Zn(4-chlorosalicylato)(2)(H(2)O)(4)] 2theofyllin dot(H(2)O)(2) a [Zn(5-chlorosalicylato)(2)(isonikotinamid)(2)(H(2)O)] Krystalová struktura z dvou zinnečnatých 4-chloro a 5-chlorosalicylátových komplexů byla určena pomocí rentgenové difrakční analýzy. Krystaly obou komplexů (I) a (II) jsou trojklonné, prostorová grupa P- 1, s Z = 1 v buňce s a = 7.2220 b = 8.59700), c = 16.0210 angstrom, alfa = 75.990 beta = 83.959 gama = 68.455 stupně, V = 897.54 angstrom (3) pro (I) a s Z = 2 v buňce s a = 11.4148, b = 11.5327, c = 12.0685 angstrom, alfa = 63.458 beta = 87.547 gama = 89.387 stupně, V = 1419.9 angstrom (3) pro (II). Koordinační okolí atomu zinku(II) sloučeniny (I) se sestává z dvou unidentátních karboxylátových kyslíků a čtyři atomů kyslíku z aqua ligandů formujících deformovaný oktaedr. Dvě theofenilové molekuly a zbývající molekuly vody jsou vázané jen vodíkovými vazbami. Atom Zn ve sloučeninách (II) je pentakoordinovaný dvěma unidentátními karboxylátovými kyslíky, dvěma pyridinovými dusíky z isonikotinamidu a atomy kyslíku z vody formujících deformované uspořádání mezi tetragonální pyramidou a trigonální bipyramidou. V obou komplexech jsou přítomny intramolekulární O - H vodíkové vazby. V krystalových strukturách jsou molekuly propojené mezimolekulovými vodíkovými vazbami O - H a N - H. Analyzované struktury jsou byly srovnány s podobný Zn(II) komplexy a s chromofory ZnO(6) a ZnO. Chlorosalicylate;Zinek;Theophylline;Isonicotinamide;vodíková vazba
eng Crystal Structures of Two Aromatic Zinc(II) Carboxylates: [Zn(4-Chlorosalicylato)(2)(H(2)O)(4)]center dot 2theophylline center dot(H(2)O)(2) and Unique [Zn(5-Chlorosalicylato)(2)(isonicotinamide)(2)(H(2)O)] The crystal structures of two zinc(II) 4-chloroand 5-chlorosalicylate complexes, [Zn(4-ClC(6)H(3)-2-(OH)COO(2)(H(2)O)(4)]center dot 2tph center dot(H(2)O)(2) (I) and [Zn(5-ClC(6)H(3)-2-(OH)COO)(2)(ina)(2)(H(2)O)] (II), where tph is theophylline and ina is isonicotinamide, have been determined using X-ray diffraction methods. Crystals of both (I) and (II) are triclinic, space group P-1, with Z = 1 in a cell with a = 7.2220(3), b = 8.59700(10), c = 16.0210(5) angstrom, alpha = 75.990(2), beta = 83.959(2), gamma = 68.455(2)degrees, V = 897.54(5) angstrom(3) (I) and with Z = 2 in a cell with a = 11.4148(11), b = 11.5327(10), c = 12.0685(13) angstrom, alpha = 63.458(6), beta = 87.547(8), gamma = 89.387(7)degrees, V = 1419.9(2) angstrom(3) (II). The coordination environment of the zinc(II) atom of compound (I) consists of two unidentate carboxylate oxygen atoms and four oxygen atoms of aqua ligands, forming a distorted octahedral configuration. Two theophylline molecules and the remaining water molecules are bound only by hydrogen bonds. The Zn atom of compound (II) is pentacoordinated with two unidentate carboxylate oxygen atoms, two pyridine nitrogen atoms of isonicotinamide ligands, and the oxygen atom of the aqua ligand, forming a distorted configuration between square pyramid and trigonal bipyramid. In both complexes intramolecular O-H center dot center dot center dot O hydrogen-bonding interactions are present. In the crystal structures, molecules are linked by intermolecular O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds. The structures are analyzed and compared to the similar Zn(II) complexes, with the chromophores ZnO(6) and ZnO(3)N(2). Chlorosalicylate;Zinc(II);Theophylline;Isonicotinamide;Hydrogen bonding

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