scholarly journals Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]

2021 ◽  
Vol 77 (3) ◽  
pp. 298-304
Author(s):  
Maksym O. Plutenko ◽  
Matti Haukka ◽  
Alina O. Husak ◽  
Turganbay S. Iskenderov ◽  
Nurullo U. Mulloev
Keyword(s):  
Complex Anion ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Partial Hydrolysis ◽  
Water Molecules ◽  
Compound K ◽  
Square Planar ◽  
Hydrolysis Of ◽  
Complex Anions ◽  
Template Reaction

The title compound, {[K4Ni2(C7H6N4O7)2]·4.8H2O} n , was obtained as a result of a template reaction between oxalohydrazidehydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed intermediate. The two independent [Ni(C7H6N4O7)]2– complex anions exhibit pseudo-C S symmetry and consist of an almost planar metal-containing fragment and a 1,3,5-oxadiazinane ring with a chair conformation disposed nearly perpendicularly with respect to the former. The central NiII atom has a square-planar N2O2 coordination arrangement formed by two amide N and two carboxylate O atoms. In the crystal, the nickel(II) complex anions form layers parallel to the ab plane. Neighboring complex anion layers are connected by layers of potassium cations for which two of the four independent cations are disordered over two sites [ratios of 0.54 (3):0.46 (3) and 0.9643 (15):0.0357 (15)]. The framework is stabilized by an extensive system of hydrogen bonds where the water molecules act as donors and the carboxylic O atoms, the amide O atoms and the oxadiazinane N atoms act as acceptors.

scholarly journals A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Maksym O. Plutenko ◽  
Matti Haukka ◽  
Alina O. Husak ◽  
Irina A. Golenya ◽  
Nurullo U. Mulloev
Keyword(s):  
Title Compound ◽  
Geometry Optimization ◽  
Water Molecules ◽  
Acta Cryst ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Semi Empirical ◽  
Complex Anions ◽  
Positively Charged ◽  
Polymeric Framework

The title compound, poly[triaquabis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2(H2O)3] n , is a second solvatomorph of poly[(μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)nickel(II)dipotassium] reported previously [Plutenko et al. (2021). Acta Cryst. E77, 298–304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(C7H6N4O7)]2−, which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion. The central Ni atom is in a square-planar N2O2 coordination arrangement formed by two amide N and two carboxylate O atoms. In the crystal, the title compound forms a layered structure in which layers of negatively charged complex anions and positively charged potassium cations are stacked along the a-axis direction. The polymeric framework is stabilized by a system of hydrogen-bonding interactions in which the water molecules act as donors and the carboxylic, amide and water O atoms act as acceptors.

Coordination of 6-Methyl-2,2'-bipyridine. Structure of Bivalent Copper and Palladium Complexes

1991 ◽  
Vol 44 (2) ◽  
pp. 219 ◽  
Author(s):  
D Onggo ◽  
DC Craig ◽  
AD Rae ◽  
HA Goodwin
Keyword(s):  
Palladium Complexes ◽  
Partial Hydrolysis ◽  
Monoclinic Space Group ◽  
Coordination Environment ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Square Planar ◽  
Bivalent Copper ◽  
Hydrolysis Of

Bis ( ligand ) complexes of 6-methyl-2,2′-bipyridine (L) with copper(II) and palladium(II) have been prepared, and their structures have been determined by single-crystal X-ray diffractometry . In the formation of the complex fromcopper(II) tetrafluoroborate and L, partial hydrolysis of a coordinated fluoroborate ion to the hydroxytrifluoroborate ion occurs. The stereochemistry about copper in [CuL2OHBF3][BF4] is essentially trigonal bipyramidal with an axial compression. The nitrogens of the methyl-substituted pyridine rings coordinate in the axial sites. In [PdL2Cl][BF4] the coordination environment about palladium is square planar and one of the 6-methylbipyridine molecules functions as a unidentate group, the nitrogen of the methyl-substituted pyridine ring being uncoordinated. The average metal-nitrogen distance is 2.032 Ǻ in the copper complex and 2.042 Ǻ in the palladium complex. [CuL2OHBF3][BF4] is monoclinic, space group P21/c, Z = 4, a 9.005(2), b 17.868(2), c 15.298(3) Ǻ, β 104.13(1)°. [PdL2Cl][BF4] is monoclinic, space group P21/c, Z = 4, a 9.606(5), b 14.748(2), c 16.311(8)Ǻ, β 96.13(2)°.

scholarly journals (E)-4-[4-(Dimethylamino)styryl]-1-methylpyridin-1-ium tetrakis[(Z)-4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Da-Jun Wu ◽  
Bin Fang
Keyword(s):  
Complex Anion ◽  
Water Molecules ◽  
Crystal Data ◽  
Chemical Formula ◽  
Acta Cryst ◽  
Data Set ◽  
Benzene Rings ◽  
Solvent Molecules ◽  
The Given ◽  
Complex Anions

In the complex anion of the title salt, (C16H19N2)[Gd(C8H4F3S)4], the GaIIIcation isO,O′-chelated by four anionic 4,4,4-trifluoro-3-oxo-1-(thiophen-2-yl)but-1-en-1-olate ligands in a distorted square-antiprismatic geometry; the 4-[4-(dimethylamino)styryl]-1-methylpyridin-1-ium cation is nearly planar, with a dihedral angle of 9.6 (5)° between the planes of the pyridine and benzene rings. In the crystal, the cations are linked with the complex anionsviaweak C—H...F and C—H...π interactions. Two of the four independent thiophene rings are disordered over two sites; occupancies were refined to 0.662 (10):0.338 (10). The solvent water molecules are highly disordered in a solvent-accessible void of 54 (3) Å3; the diffuse electron densities were removed from the data set using SQUEEZE [Spek (2015).Acta Cryst. C71, 9–16]. These solvent molecules are not considered in the given chemical formula and other crystal data.

scholarly journals Bis(2-trifluoromethyl-1H-benzimidazol-3-ium) tetrachloridomercurate dihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m716-m716
Author(s):  
Ming-Liang Liu
Keyword(s):  
Hydrogen Bonding ◽  
Complex Anion ◽  
Organic Cations ◽  
Water Molecules ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Lattice Water ◽  
Compound C ◽  
Trifluoromethyl Groups ◽  
Complex Anions

In the title compound, (C8H6F3N2)2[HgCl4]·2H2O, the HgII cation is coordinated by four Cl− anions in a distorted tetrahedral geometry. In the crystal, the 2-trifluoromethyl-1H-benzimidazolium cations link to the [HgCl4]2− complex anions and lattice water molecules via N—H...Cl and N—H...O hydrogen bonds, and the lattice water molecules further link to the Hg complex anion and the organic cations via O—H...Cl and O—H...F hydrogen bonding. One of the trifluoromethyl groups is disordered over two orientations in a 0.59 (4):0.41 (4) ratio.

catena-Poly[1,2-ethylenediammonium [[nitratouranyl]-μ3-phosphito] dihydrate]

2006 ◽  
Vol 62 (4) ◽  
pp. m763-m764 ◽  
Author(s):  
Jian-Fu Xu ◽  
Ping Chen ◽  
Rubin Zhuang ◽  
Chang-Cang Huang ◽  
Han-Hui Zhang
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Complex Anion ◽  
Uranyl Complex ◽  
Water Molecules ◽  
Nitrate Anion ◽  
Inversion Center ◽  
Compound C ◽  
Complex Anions ◽  
Hydrogen Bonded

The crystal structure of the title compound, {(C2H10N2)[U(HPO3)(NO3)O2]·2H2O} n , consists of polymeric uranyl complex anions, ethylenediammonium cations and uncoordinated water molecules. The polymeric uranyl complex anion displays a ladder-like structure, each UO2 unit being coordinated by three phosphite dianions and one nitrate anion with a pentagonal–bipyramidal geometry. The ethylenediammonium cation is located on an inversion center and is hydrogen bonded with the uranyl complex.

scholarly journals Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN–H, K)[Co(NCS)4]·2H2O

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Tim Peppel ◽  
Sabine M. L. Detert ◽  
Christian Vogel ◽  
Martin Köckerling
Keyword(s):  
Complex Anion ◽  
Three Dimensional ◽  
Building Blocks ◽  
Potassium Cation ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Metathesis Reaction ◽  
Glucosamine Hydrochloride ◽  
Hydrogen Bonding Interactions ◽  
Complex Anions

The title compound, D-(+)-glucosammonium potassium tetrathiocyanatocobaltate(II) dihydrate, K(C6H14NO5)[Co(NCS)4]·2H2O or (GlcNH)(K)[Co(NCS)4]·2H2O, has been obtained as a side product of an incomplete salt metathesis reaction of D-(+)-glucosamine hydrochloride (GlcN·HCl) and K2[Co(NCS)4]. The asymmetric unit contains a D-(+)-glucosammonium cation, a potassium cation, a tetraisothiocyanatocobalt(II) complex anion and two water molecules. The water molecules coordinate to the potassium cation, which is further coordinated via three short K+...SCN− contacts involving three [Co(NCS)4]2− complex anions and via three O atoms of two D-(+)-glucosammonium cations, leading to an overall eightfold coordination around the potassium cation. Hydrogen-bonding interactions between the building blocks consolidate the three-dimensional arrangement.

scholarly journals Bis(6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-β-carbolin-2-ium) tetrachloridozincate(II) dihydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m464-m465 ◽  
Author(s):  
Teik Beng Goh ◽  
Mohd Nizam Mordi ◽  
Sharif Mahsufi Mansor ◽  
Mohd Mustaqim Rosli ◽  
Hoong-Kun Fun
Keyword(s):  
Complex Anion ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, (C13H17N2O)2[ZnCl4]·2H2O, contains two tetrahydroharmine cations, one tetrachlorozincate(II) anion and two water molecules. In the cations, the two 1H-indole ring systems are essentially planar, with maximum deviations of 0.016 (2) and 0.018 (2) Å, and both tetrahydropyridinium rings show a half-chair conformation. The ZnIIcomplex anion has a distorted tetrahedral geometry. In the crystal, intermolecular N—H...O, N—H...Cl, O—H...O, O—H...Cl and C—H...O hydrogen bonds link the components into a three-dimensional network. A π–π interaction with a centroid–centroid distance of 3.542 (14) Å is also observed.

Hexaaquanickel(II) bis{[N-(2-hydroxybenzylidene)alanylglycinato]cuprate(II)} dodecahydrate

2006 ◽  
Vol 62 (7) ◽  
pp. m1508-m1509
Author(s):  
Bin Xu ◽  
Yan-Yan Zhang ◽  
Wen-Long Liu ◽  
Xiao-Ya Hu
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Solvent Water ◽  
Square Planar ◽  
Complex Anions

The crystal structure of the title compound, [Ni(H2O)6][Cu(C12H11N2O4)]2·12H2O, consists of CuII complex anions, NiII complex cations and solvent water molecules. The CuII ion is located on a general position and coordinated by a Schiff base ligand with a square-planar CuN2O2 geometry. The NiII ion is located on an inversion center and coordinated by six water molecules in an octahedral geometry.

Organic material dissolved during oxygen-alkali pulping of hot water extracted birch sawdust

TAPPI Journal ◽  
2015 ◽  
Vol 14 (4) ◽  
pp. 237-244 ◽  
Author(s):  
JONI LEHTO ◽  
RAIMO ALÉN
Keyword(s):  
Acetic Acid ◽  
Betula Pendula ◽  
Cooking Time ◽  
Hot Water ◽  
Partial Hydrolysis ◽  
Chemical Pulping ◽  
Black Liquors ◽  
Aliphatic Carboxylic Acids ◽  
Hydrolysis Of ◽  
Cooking Conditions

Untreated and hot water-treated birch (Betula pendula) sawdust were cooked by the oxygen-alkali method under the same cooking conditions (temperature = 170°C, liquor-to-wood ratio = 5 L/kg, and 19% sodium hydroxide charge on the ovendry sawdust). The pretreatment of feedstock clearly facilitated delignification. After a cooking time of 90 min, the kappa numbers were 47.6 for the untreated birch and 10.3 for the hot water-treated birch. Additionally, the amounts of hydroxy acids in black liquors based on the pretreated sawdust were higher (19.5-22.5g/L) than those in the untreated sawdust black liquors (14.8-15.5 g/L). In contrast, in the former case, the amounts of acetic acid were lower in the pretreated sawdust (13.3-14.8 g/L vs. 16.9-19.1 g/L) because the partial hydrolysis of the acetyl groups in xylan already took place during the hot water extraction of feedstock. The sulfur-free fractions in the pretreatment hydrolysates (mainly carbohydrates and acetic acid) and in black liquors (mainly lignin and aliphatic carboxylic acids) were considered as attractive novel byproducts of chemical pulping.

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