About: 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)]

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About: 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)] Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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). 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). (en)
Title	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)] 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)] (en)
skos:prefLabel	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)] 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)] (en)
skos:notation	RIV/00216275:25310/11:39892401!RIV12-MSM-25310___
http://linked.open...avai/predkladatel	Fakulta chemicko-technologická
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC523), Z(MSM0021627501)
http://linked.open...iv/cisloPeriodika	7
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Růžička, Aleš
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Pardubice / Fakulta chemicko-technologická
http://linked.open...dnocenehoVysledku	192361
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/11:39892401
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Hydrogen bonding; Isonicotinamide; Theophylline; Zinc(II); Chlorosalicylate (en)
http://linked.open.../riv/klicoveSlovo	Chlorosalicylate Hydrogen bonding Isonicotinamide Theophylline Zinc(II)
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[FDA50A43E7D7]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Crystallography
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Perspective inorganic materials
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	41
http://linked.open...iv/tvurceVysledku	Bujdosová, Zuzana Gyoryová, Katarina Koman, Marian Melnik, Milan Růžička, Aleš
http://linked.open...ain/vavai/riv/wos	000292841400029
http://linked.open...n/vavai/riv/zamer	Aimed preparation of special compounds and materials and investigation of their physical and chemical properties and supramolecular structures
issn	1074-1542
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1007/s10870-011-0049-z
http://localhost/t...ganizacniJednotka	25310
is http://linked.open...avai/riv/vysledek of	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)] 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)]

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