Komplexe mit substituierten 2,5-Dihydroxy-p-benzochinonen: EA[C6(NO2)2O4] · H2O (EA = Ca, Sr)/ Complexes with Substituted 2,5-D ihydroxy-p-benzoquinones: EA [C6(NO2)2O4] · 4H2O(EA = Ca, Sr)

1987 ◽  
Vol 42 (8) ◽  
pp. 972-976 ◽  
Author(s):  
Christian Robl
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Single Crystals ◽  
Coordination Sphere ◽  
Trigonal Prism ◽  
Water Molecules ◽  
Additional Water ◽  
Oxygen Atoms

AbstractSingle crystals of EA[Q(NO2)2O4] · 4H2O (EA = Ca. Sr) were grown in aqueous silicagel. Ca2+ has CN 8. It is surrounded by 4 oxygen atoms of two bis-chelating [C6(NO2)2O4]2- ions and 4 water molecules, which form a distorted, bi-capped trigonal prism. Sr2+ is coordinated similarly, with an additional water molecule joining the coordination sphere to yield CN 8+1. Corrugated chains extending along [010] and consisting of EA2+ and nitranilate ions are the main feature of the crystal structure. Adjacent chains are interlinked by hydrogen bonds.

scholarly journals Crystal structure of 2,6-bis(2-hydroxy-5-methylphenyl)-4-phenylpyridinium bromide dichloromethane hemisolvate hemihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. o953-o954
Author(s):  
Badma N. Mankaev ◽  
Kirill V. Zaitsev ◽  
Sergey S. Karlov ◽  
Mikhail P. Egorov ◽  
Andrei V. Churakov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Pyridine Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Ring Centroid

The asymmetric unit in the structure of the title compound, C25H22NO2+·Br−·0.5CH2Cl2·0.5H2O, comprises two pseudosymmetry-related cations, two bromide anions, a dichloromethane molecule and a water molecule of solvation. The two independent cations are conformationally similar with the comparative dihedral angles between the central pyridine ring and the three benzene substituent rings being 3.0 (2), 36.4 (1) and 24.2 (1)°, and 3.7 (2), 36.5 (1) and 24.8 (1)°, respectively. In the crystal, the cations, anions and water molecules are linked through O—H...O and O—H...Br hydrogen bonds, forming an insular unit. Within the cations there are also intramolecular N—H...O hydrogen bonds. Adjacent centrosymmetrically related aggregates are linked by π–π stacking interactions between the pyridine ring and a benzene ring in both cations [ring-centroid separations = 3.525 (3) and 3.668 (3) Å], forming chains extending across theacdiagonal. Voids between these chains are filled by dichloromethane molecules.

scholarly journals Komplexe mit aromatischen Carbonsäuren, IV. Ca2[C6H2(COO)4]·6H2O - Eine neue Schichtstruktur/ Complexes with Aromatic Carboxylic Acids, IV. Ca2[C6H2(COO)4]·6H2O - A Novel Layer Structure

1988 ◽  
Vol 43 (8) ◽  
pp. 993-997 ◽  
Author(s):  
Christian Robl
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystals ◽  
Silica Gel ◽  
Layer Structure ◽  
The Other ◽  
Water Molecules ◽  
Ring Plane ◽  
Weakly Bound ◽  
Carboxylate Groups ◽  
Oxygen Atoms

AbstractSingle crystals of Ca2[C6H2(COO)4]·6H2O were grown in aqueous silica gel. Ca2+ has CN 6+2. The coordination polyhedron is formed by three water molecules and five oxygen atoms of carboxylate groups. Six oxygen atoms are closely bound (235,9-243,9 pm), the two remaining coordination partners are considerably more remote from Ca2+ (268,2 and 273,8 pm). COO- groups chelate Ca2+ in an asymmetric manner, but the C -O bond lengths do not differ markedly (125,2-126,3 pm). The connection of Ca2+ with [C6H2(COO)4]4- leads to rigid layers. Adjacent layers are interlinked by hydrogen bonds. Those oxygen atoms which are weakly bound to Ca2+ are favoured as proton acceptors in hydrogen bonds. The COO groups are tilted differently against the C6-ring plane. One is approximately coplanar, but the other is oriented almost perpendicularly.

A neutron diffraction study of mercury(II)chromate hemihydrate, HgCrO4 · 1/2 H2O

1975 ◽  
Vol 142 (3-4) ◽  
Author(s):  
Karin Aurivillius ◽  
Claes Stålhandske
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Neutron Diffraction ◽  
Water Molecule ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Mercury Atom ◽  
Building Elements ◽  
Oxygen Atoms

AbstractThe crystal structure of mercury(II)chromate hemihydrate, HgCrOThe mercury atom is bonded only to two oxygen atoms, each belonging to a separate Chromate tetrahedron, at the distances 2.055(2) and 2.064(2) Å, the angle O–Hg–O being 179.95(5)°. As each Chromate group is bonded to two mercury atoms, fundamental building elements of the structure are endless chains of the composition (HgCrOIn the water molecule the distances O(W)–H (2 × ) and H–H are 0.945(4) and 1.487(6) Å respectively. The angle H–O(W)–H is 103.7(4)°. In the hydrogen bonds the distance O(W)–H…O between water and Chromate oxygen atoms is 2.961(2) Å with a distance H…O of 2.133(4) Å and an angle O(W)–H…O of 145.6(3)°.

scholarly journals Crystal structure of melaminium cyanoacetate monohydrate

2020 ◽  
Vol 76 (10) ◽  
pp. 1645-1648
Author(s):  
Bhawani Sigdel Regmi ◽  
Allen Apblett ◽  
Douglas Powell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, 2,4,6-triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate, C3H7N6 +·NCCH2COO−·H2O, consists of a melaminium cation, a cyanoacetate anion and a water molecule, which are connected to each other via N—H...O and O—H...O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N—H...N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N—H...O, O—H...O, N—H...N and C—H...O hydrogen bonds between the cations, anions and water molecules.

scholarly journals Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS)-2-Phosphonobutyric Acid

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystals ◽  
Magnetic Measurements ◽  
Antiferromagnetic Coupling ◽  
Water Molecules ◽  
Space Group ◽  
Thermoanalytical Investigations ◽  
Copper Cations

Blue single crystals of Cu[μ3-O3P(CH2)2COOH].2H2O (1) and Cu[(RS)-μ3-O3PCH(C2H5)COOH].3H2O (2) have been prepared in aqueous Cu2+-solutions (pH = 2.5–3.5) containing 3-phosphonopropionic acid (1) and (RS)-2-phosphonobutyric acid (2), respectively. 1: Space group Pbca (no. 61) with a = 812.5(2), b = 919.00(9), c = 2102.3(2) pm. Cu2+ is five-fold coordinated by three oxygen atomsstemming from [O3P(CH2)2COOH]2– anions and two water molecules. The Cu-O bond lengths range from194.0(3) to 231.8(4) pm. The connection between the [O3P(CH2)2COOH]2– anions and the Cu2+ cations yields apolymeric structure with layers parallel to (001). The layers are linked by hydrogen bonds. 2: Space group Pbca(no. 61) with a = 1007.17(14), b = 961.2(3), c = 2180.9(4) pm. The copper cations are surrounded by five oxygen atoms in a square pyramidal fashion with Cu-O bonds between 193.6(4) and 236.9(4) pm. The coordination between [O3PCH(C2H5)COOH]2- and Cu2+ results in infinite puckered layers parallel to (001). The layers are not connected by any hydrogen bonds. Each layer contains both R and S isomers of the [O3PCH(C2H5)COOH]2-dianion. Water molecules not bound to Cu2+ are intercalated between the layers.UV/Vis spectra suggest three d-d transition bands at 743, 892, 1016 nm for 1 and four bands at 741, 838, 957and 1151 nm for 2, respectively. Magnetic measurements suggest a weak antiferromagnetic coupling betweenCu2+ due to a super-superexchange interaction. Thermoanalytical investigations in air show that the compounds are stable up to 95 °C (1) and 65 °C (2), respectively.

scholarly journals Crystal structure of di-μ-hydroxido-bis{aqua[ethyl (1,10-phenanthrolin-3-yl)phosphonato-κ2N,N′]copper(II)} heptahydrate

2018 ◽  
Vol 74 (12) ◽  
pp. 1751-1754
Author(s):  
Alexander Yu. Mitrofanov ◽  
Yoann Rousselin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Binuclear Complex ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

In the title compound, [Cu2(OH)2{C12H7N2(PO3C2H5)}2(H2O)2]·7H2O, two Cu2+cations are bridged by two hydroxide groups, forming a centrosymmetric binuclear complex. Each Cu2+cation is further coordinated by the N atoms of a bidentate ethyl (1,10-phenanthrolin-3-yl)phosphonate anion and a water molecule in a square-pyramidal geometry. In the crystal, a network of O—H...O hydrogen bonds involving the P(O)(O−)(OEt) groups, bridging hydroxyl groups, coordinated and uncoordinated water molecules generates a three-dimensional supramolecular structure. The ethyl group exhibits disorder and was modelled over three sites with occupancies of 0.455, 0.384 and 0.161.

Über die Dialkaliacetylendicarboxylate Na2(C2(COO)2)(H2O)4 und K2(C2(COO)2)(H2O) / On Dialkali Acetylenedicarboxylates Na2(C2(COO)2)(H2O)4 and K2(C2(COO)2)(H2O)

2004 ◽  
Vol 59 (8) ◽  
pp. 903-909 ◽  
Author(s):  
Heinrich Billetter ◽  
Ingo Pantenburg ◽  
Uwe Ruschewitz
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystals ◽  
Sodium Atom ◽  
Water Molecules ◽  
Potassium Ions ◽  
Slow Evaporation ◽  
Carboxylate Ligands ◽  
Carboxylate Anions ◽  
Acetylenedicarboxylic Acid ◽  
Oxygen Atoms

AbstractFrom aqueous solutions containing acetylenedicarboxylic acid and Na2CO3 or KOH single crystals of Na2(C2(COO)2)(H2O)4 (P21/n, Z = 2) and K2(C2(COO)2)(H2O) (P1̅, Z = 2) were obtained by slow evaporation of the solvent. In Na2(C2(COO)2)(H2O)4 the sodium atom is co-ordinated almost octahedrally by three water molecules and three oxygen atoms of the carboxylate ligands. These octahedra are connected to layers, which are held together by hydrogen bonds. In K2(C2(COO)2)(H2O) two crystallographic distinct potassium ions exist both seven co-ordinate by oxygen atoms stemming from water molecules and carboxylate ligands. These KO7 polyhedra are linked to a threedimensional structure by the bifunctional carboxylate anions and the water molecules.

The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl·4H2O

1995 ◽  
Vol 59 (394) ◽  
pp. 159-162 ◽  
Author(s):  
G. L. Starova ◽  
S. K. Filatov ◽  
G. L. Matusevich ◽  
V. S. Fundamensky
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Polyhedron ◽  
Specific Interaction ◽  
Distorted Octahedron ◽  
Water Molecules ◽  
Space Group ◽  
Oxygen Atoms

AbsractThe crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl·4H2O, has been determined, space group I4/m, a = 6.870(1), c = 13.342(2) Å, Z = 2, Dx = 2.35 g/cm3. The polyhedron cation chains are parallel to [001] and consist of couples of distorted Ca octahedra alternating with one distorted Al octahedron rotated through 24° with respect to the former. The chains are linked by SO4-tetrahedra so that all of the four tetrahedron oxygen atoms take part in coordination of Ca atoms to form a distorted octahedron with Cl and F atoms. The Al coordination polyhedron consists of two F atoms and four oxygen atoms belonging to water molecules. There is a specific interaction via hydrogen bonds between oxygen atoms of SO4-tetrahedra and water molecules.

scholarly journals Crystal structure of dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ4N,N′,O,O′}iron(III) dihydrate from synchrotron data

2014 ◽  
Vol 70 (11) ◽  
pp. 334-336
Author(s):  
Jong Won Shin ◽  
Dae-Woong Kim ◽  
Dohyun Moon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Title Compound ◽  
Water Molecules ◽  
Bond Lengths ◽  
Distorted Octahedral Coordination ◽  
Lattice Water ◽  
Dimeric Unit ◽  
Distorted Octahedral

In the title compound, [Fe(C10H15N2O2)Cl2]·2H2O, the FeIIIion is coordinated by two N and two O atoms of the tetradentate 2-{(2-hydroxyethyl)(pyridin-2-ylmethyl)amino}ethanolate ligand and by two chloride anions, resulting in a distorted octahedral coordination sphere. The average Fe—X(X= ligand N and O atoms) and Fe—Cl bond lengths are 2.10 and 2.32 Å, respectively. In the crystal, duplex O—H...O hydrogen bonds between the hydroxyl and ethoxy groups of two neighbouring complexes give rise to a dimeric unit. The dimers are connected to the lattice water molecules (one of which is equally disordered over two sets of sites) through O—H...Cl hydrogen bonds, forming undulating sheets parallel to (010). Weak C—H...Cl hydrogen bonds are also observed.

Synthese und Kristallstruktur von Europium(III)-diacetatotriaquo-chlorid, [Eu(CH3COO)2(H2O)3]Cl / Synthesis and Crystal Structure of Europium(III)-diacetatotriaquo-chloride, [Eu(CH3COO)2(H2O)3]Cl

1989 ◽  
Vol 44 (9) ◽  
pp. 1007-1010 ◽  
Author(s):  
Thomas Schleid ◽  
Gerd Meyer
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Chloride Ions ◽  
Water Molecules ◽  
Monoclinic System ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Oxygen Atoms

Colourless single crystals of [Eu(CH3COO)2(H2O)3]Cl are obtained at about 5°C from a solution of EuCl3 · 6 H2O in a mixture of acetone, tetrahydrofurane and acetanhydride (1:1:2) to which a small amount of water had been added. [Eu(CH3COO)2(H2O)3]Cl crystallizes in the monoclinic system, space group P21/n (No. 14), a = 786.19(5), b = 791.86(5), c = 1768.81(13) pm; β = 98.235(6)°, R = 0.025, Rw = 0.021, Z = 4. Eu3+ is in nine-coordinate surrounding of O2-, three of which belong to water molecules and six to acetate anions (two bidentate and two monodentate). Cationic chains of the composition [Eu(CH3COO)2(H2O)3]+ are formed through further connection via acetate-oxygen atoms. These chains are stacked hexagonally parallel [100] and held together by “lonesome” Cl- anions. The chloride ions are surrounded by 4+1 aquo ligands.

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