Kristallstruktur des „supramolekularen“ Komplexes [K(Benzo-18-krone-6)][Zn(CN)3]*H2O mit einem polymeren kettenförmigen Tricyanozincat-Anion / Crystal Structure of the “Supramolecular” Complex [K(benzo-18-crown-6)][Zn(CN)3] •H2O with a Polymeric Tricyano Zincate Anion with Chain Structure

1999 ◽  
Vol 54 (6) ◽  
pp. 747-750 ◽  
Author(s):  
Joachim Pickardt ◽  
Pirka Wischlinski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chain Structure ◽  
Supramolecular Complex ◽  
Potassium Ion ◽  
Water Molecules ◽  
Cyanide Ion ◽  
Triclinic Space Group ◽  
Space Group ◽  
Coordination Spheres

Crystals o f the complex [K (benzo-18-crown-6][Zn(CN)3] H2O were obtained from a solution o f Zn(CN)2, KCN, and benzo-18-crown-6 in water/methanol. The compound crystallizes in the triclinic space group PI (no. 2),: Z = 2, a = 818,6(5), b = 1236,7(8), c = 1359,6(6) pm, a = 67,02(4), β = 87,38(4), 7 = 75,46(5). Each Zn atom is bonded to one bridging cyanide ion to give chains -Zn(CN)Zn -, and to two terminal CN groups. The N atom of one of the terminal CN groups interacts with a potassium ion o f the [K (benzo-18-crown-6)]+ unit. The coordination spheres of the K ions are completed by water molecules, which in turn form hydrogen bonds to N atoms of terminal CN groups of neighbouring chains, whereby puckered sheets are formed

Zur Struktur des Pentaazadienidions [tol-N=N-N-N=N-tol]-. Synthese und Kristallstruktur von Cs2(18-Krone-6)(tolN5tol)2 und (NH4)[Cr(NH3)6(H2O)4](tolN5tol)4 / The Structure of the Pentaazadienide Anion [tol-N=N—N—N=N-tol]-. Synthesis and Crystal Structure of Cs2(18-Crown-6)(tolN5tol)2 and (NH4)[Cr(NH3)6(H2O)4](tolN5tol)4

1993 ◽  
Vol 48 (11) ◽  
pp. 1574-1580 ◽  
Author(s):  
Susanne Dieterich ◽  
Joachim Strähle
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aqueous Ammonia ◽  
Water Molecules ◽  
Double Bonds ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Concentrated Solution ◽  
Single Bonds

A concentrated solution of CsCI, 18-crown-6, and tol-N=N—N(H)—N=N-tol in aqueous ammonia affords Cs2(18-crown-6)(tolN5tol)2, which crystallizes in the triclinic space group P1̄ with a = 852.6(2), b = 1139.4(3), c = 1373.9(4) pm, α = 104.17(3), ß = 95.94(2), γ = 110.74(2)°, Ζ = 1. In the structure centrosymmetrical [Cs2(18-crown-6)]2+ moieties are packed with pairs of 1,5-bis(tolyl)pentaazadienide anions to built up columns along [100]. The N—N distances N1 —N2 = 128 pm and N4—N5 = 129 pm in the pentaazadienide anions indicate localized double bonds, while the distances N2—N3 and N3—N4 of 134 pm can be assigned to single bonds. A mixture of Cr(NH3)63+ and tolNNN(H)NNtol in concentrated aqueous ammonia yields triclinic (NH4)[Cr(NH3)6(H2O)4](tolN5tol)4 crystallizing in the space group P l with the lattice parameters a = 1561.1(1), b = 1619.3(3), c = 1703.3(2) pm, α = 107.03(1), β = 116.81(1), γ = 101.75(1)°, Ζ = 2. The structure contains tolN5tol- anions, NH4+ cations and [Cr(NH3)6(H2O)4]3+ complexes in which four triangular faces of the Cr(NH3)6 octahedron are capped by water molecules which are linked via hydrogen bonds. Within the pentaazadienide anions which are connected with the [Cr(NH3)6(H2O)4]3+ complexes also via hydrogen bonds an indication for localized double bonds Ν1=Ν2 and N4=N 5 has been obtained.

Hydrate von Li3VO4: Synthese und Strukturchemie / Hydrates of Li3VO4: Synthesis and Structural Chemistry

2007 ◽  
Vol 62 (10) ◽  
pp. 1235-1245 ◽  
Author(s):  
Simone Schnabel ◽  
Caroline Röhr
Keyword(s):  
Hydrogen Bonds ◽  
Building Blocks ◽  
Water Molecules ◽  
Space Group ◽  
Space Groups ◽  
Monoclinic Form ◽  
Lithium Sulfide ◽  
3D Network ◽  
Coordination Spheres ◽  
A Chain

Stoichiometric hydrates of Li3VO4, the hexahydrate and two polymorphs of the octahydrate, were prepared by evaporation of alkaline aqueous solutions 1 molar in LiOH and 0.5 molar in the metavanadate LiVO3 at r. t. with or without the addition of Lithium sulfide, i. e. at different pH values. Their crystal structures have been determined and refined using single crystal X-ray data; all lithium and hydrogen atom positions were localised and refined without contraints. All three title compounds crystallise in non-centrosymmetric space groups. The water molecules belong to the tetrahedral coordination spheres of the Li cations, i. e. they are embedded as water of coordination exclusively. The tetrahedral orthovanadate(V) anions VO3−4 and the LiO4 tetrahedra are connected via common O corners to form building units which are further held together by strong, nearly linear hydrogen bonds. The hexahydrate Li3VO4 ・ 6H2O (space group R3, a = 962.9(2), c = 869.2(2) pm, Z = 3, R1 = 0.0260) contains isolated orthovanadate(V) anions VO3−4 surrounded by a 3D network of cornersharing Li(H2O)4 tetrahedra forming rings of three, seven and eight units. The water molecules are ‘isolated’ in the sense that no hydrogen bonds are formed between water molecules. The octahydrate is dimorphous: The triclinic polymorph of Li3VO4 ・ 8H2O (space group P1, a = 592.6(2), b = 651.3(2), c = 730.2(4) pm, α = 89.09(2), β = 89.43(2), γ = 88.968(12)°, Z = 1, R1 = 0.0325) contains two types of chains of tetrahedra: One consists of corner-sharing Li(H2O)4 tetrahedra only, the second one is formed by alternating LiO4 and VO4 tetrahedra, also sharing oxygen corners. Only one water molecule is ‘isolated’, the other seven form a branched fragment of a chain with hydrogen bonds between them. In the monoclinic form of Li3VO4・8H2O (space group Pc, a = 732.6(1), b = 653.7(1), c = 1292.9(3) pm, β = 112.21(1)°, Z = 2, R1 = 0.0289) a fragment of a chain of three LiO4 tetrahedra, two of which share a common edge, and one VO4 tetrahedron represent the formular unit. These building blocks are connected via hydrogen bonds formed by three ‘isolated’ water molecules and a chain fragment of five connected water molecules.

scholarly journals Crystal structure of bis(μ-2,3,4,5-tetrafluorobenzoato-κ2O:O′)bis[(1,10-phenanthroline-κ2N:N′)(2,3,4,5-tetrafluorobenzoato-κO)copper(II)] dihydrate

2014 ◽  
Vol 70 (11) ◽  
pp. m365-m366 ◽  
Author(s):  
Junshan Sun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chain Structure ◽  
Water Molecules ◽  
Molecular Configuration ◽  
Centrosymmetric Dimer ◽  
Lattice Water ◽  
Phenanthroline Ligand ◽  
A Chain

In the title compound, [Cu2(C7HF4O2)4(C12H8N2)2]·2H2O, the CuIIion has a square-pyramidal coordination sphere. The basal plane consists of two N atoms [Cu—N = 2.008 (3) and 2.032 (3) Å] from the phenanthroline ligand, and of two carboxylate O atoms [Cu—O = 1.942 (3) and 1.948 (3) Å] from two 2,3,4,5-tetrafluorobenzoate anions. Another 2,3,4,5-tetrafluorobenzoate anion provides the apical carboxylate O atom [Cu—O = 2.262 (3) Å] and bridges two CuIIions into a binuclear centrosymmetric dimer. Intramolecular π–π interactions between one of the tetrafluorobenzene rings and the middle of the phenenanthroline rings [3.617 (3) Å] stabilize the molecular configuration. O—H...O hydrogen bonds between the lattice water molecules and the unbound carboxylate O atoms of the metal complexes leads to the formation of a chain structure parallel to [100].

Spezielle Alkylammoniumhexachlorometallate, III [1] Synthese und Kristallstruktur von Tris(guanidinium)- hexachlororhodat(III)-monohydrat, [C(NH2)3]3 [RhCl6] · H2O / Alkylammonium Hexachlorometallates, III [1] Synthesis, and Crystal Structure of Tris(guanidinium) Hexachlororhodate(III) Monohydrate, [C(NH2)3]3[RhCl6] · H2O

1996 ◽  
Vol 51 (10) ◽  
pp. 1464-1468 ◽  
Author(s):  
Walter Frank ◽  
Guido J. Reiß
Keyword(s):  
Crystal Structure ◽  
Hydrochloric Acid ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Acid Solution ◽  
Hydrochloric Acid Solution ◽  
Guanidine Hydrochloride ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group

Tris(guanidinium) hexachlororhodate(III) monohydrate, [C(NH2)3]3[RhCl6] · H2O (1 ) has been obtained by the reaction of rhodium(III) chloride with guanidine hydrochloride in hydrochloric acid solution. 1 crystallizes in the triclinic space group P1̅ (a = 7.6013(9) Å, b = 8.6912(10) Å, c = 15.956(2) Å, α = 93.177(10)°, β = 101.691(10)°, γ = 113.995(9)°, V = 931.8(2), Z = 2). Two crystallographically independent hexachlororhodate ions, three crystallographically independent guanidinium ions and one water molecule are linked by a complex framework of hydrogen bonds.

Crystal Structure of Adeninium Trichloromercurate(II),

1975 ◽  
Vol 53 (15) ◽  
pp. 2345-2350 ◽  
Author(s):  
Monique Authier-Martin ◽  
André L. Beauchamp
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Heavy Atom ◽  
Chloride Ions ◽  
Water Molecules ◽  
Hydrogen Atoms ◽  
Space Group ◽  
Heavy Atom Method

The title compound belongs to space group P21/c with a = 23.99(1), b = 4.245(2), c = 25.98(1) Å, β = 117.58(7)°, and Z = 8. The structure was solved by the heavy-atom method and refined by block-diagonal least squares on 2589 independent observed reflections. All non-hydrogen atoms were refined anisotropically and some of the hydrogen atoms were located but their parameters were not refined. The final values of R and Rw were 0.042 and 0.047, respectively.The two nonequivalent mercury atoms have very similar environments. Two short Hg—Cl bonds (2.34–2.38 Å) at ∼ 165° define a quasi-molecular HgCl2 unit. Overall octahedral coordination is completed with two chloride ions at 2.76–2.84 Å and two chlorine atoms at 3.19–3.26 Å on neighboring HgCl2 quasi-molecules. HgCl6 octahedra share edges to form twofold ribbons in the b direction. This pattern of octahedra is identical with the onereported for β-NH4HgCl3. The cations are pairs of N(1)-protonated adenine molecules linked by two N(10)—H(10)… N(7) hydrogen bonds and stacked in the b direction. Water molecules act as acceptors in moderately strong hydrogen bonds with acidic protons H(1) and H(9) of adeninium ions. Other generally weaker hydrogen bonds exist between the various parts of the structure.

Addukte von Alkalimetallhexacyanoferraten mit Hexamethylentetramin: Die Kristallstrukturen von Na3[Fe(CN)6] · 2C6H12N4 · 5H20 und K3[Fe(CN)6] · 2C6H12N4 · 4H2O

1988 ◽  
Vol 43 (9) ◽  
pp. 1161-1166 ◽  
Author(s):  
Hans-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Hydrogen Bonds ◽  
Aqueous Solutions ◽  
Single Crystals ◽  
Three Dimensions ◽  
Water Molecules ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
Sodium And Potassium ◽  
Coordination Water

Abstract By diffusion of methanolic solutions of hexamethylenetetramine into aqueous solutions of hexacyanoferrates(III) of sodium and potassium, resp., single crystals of the adducts were ob­tained. Na3[Fe(CN)6] · 2C6H12N4-5H2O, orthorhombic, space group Pca21. Z = 4, a = 14.122(4). b = 14.380(4), c = 14.381(4) Å, 3153 reflections, R = 0.044. K3[Fe(CN)6]•2C6H12N4-4H2O, triclinic, space group P1̄, Z = 4, a = 14.125(4), b = 17.808(4), c =14.116(4) Å, α = 114.14(5), β = 94.91(4), γ = 108.36(5)°. 5550 reflections, R = 0.042. Both structures may be regarded as Elpasolite-Iike arrangements of [Fe(CN)6]3- ions, C6H12N4 molecules and [M2(OH2)x]3+ units (M = Na, K; x = 5, 4), linked together unsymmetrically by M-N contacts of metal ions and nitrogen atoms with mean distances of Na-NHMT = 264 pm. Na-NCYan = 243 pm, K-NHMT = 293 pm and K-Ncyan = 290 pm. Stabilization of the crystal structures is obtained by N---H-O hydrogen bonds of coordination water molecules in three dimensions.

The Crystal and Molecular Structure of Butorphanol Hydrogen Tartrate

1994 ◽  
Vol 59 (6) ◽  
pp. 1361-1367 ◽  
Author(s):  
Alexandr Jegorov ◽  
Roman Sobotík ◽  
Svetlana Pakhomova ◽  
Jan Ondráček ◽  
Jiří Novotný ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Chair Conformation ◽  
Triclinic Space Group ◽  
Space Group

The structure of butorphanol hydrogen tartrate {(9R,13S,14S)-(-)-17-(cyclobutylmethyl)morphinan-3,14-diol (2S,3S)-(-)-hydrogen tartrate} (C21H29NO2 .C4H6O6) was solved by direct methods and refined anisotropically to the R value of 0.029 for 2 069 observed reflections. The title morphine analogue crystallizes in the triclinic space group P1 with lattice parameters a = 7.620(1), b = 9.140(1), c = 9.591(1) Å, α = 105.48(1), β = 112.91(1), γ = 84.29(1)°, Z = 1. The butorphanol B ring possesses the 3E envelope conformation with small 3H2 distortion, C and D rings have a regular chair conformation. The intramolecular N17-H17...O2 hydrogen bond is observed in crystal structure of the title compound. The butorphanol and hydrogen tartrate molecules are joined together by means of O2-H(O2)...O7, O1-H(O1)...O7' and O3-H(O3)...O8" hydrogen bonds to form networks.

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.

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 (E)-N′-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph

2014 ◽  
Vol 70 (12) ◽  
pp. o1250-o1251 ◽  
Author(s):  
J. Balaji ◽  
J. John Francis Xavier ◽  
S. Prabu ◽  
P. Srinivasan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Acta Cryst ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Benzene Rings ◽  
Title Molecule

The title compound, C14H13ClN2O2S, crystallized in the enantiomorphic defining hexagonal space groupP61[Flack parameter = −0.02 (7)]. The partially hydrated form of the same compound, crystallizing in the triclinic space groupP-1, has been reported previously [Kiaet al.(2009b).Acta Cryst.E65, o1119], as has the crystal structure of the bromo derivative, also crystallizing in the space groupP-1 [Kiaet al.(2009a).Acta Cryst.E65, o821]. The title molecule is non-planar with the planes of the benzene rings being inclined to one another by 76.62 (13)°, and has anEconformation about the C=N bond. In the crystal, molecules are linkedviaN—H...O hydrogen bonds forming 61helical chains running along [001]. The chains are linkedviaC—H...O hydrogen bonds, C—H...π interactions and short Cl...O [3.015 (3) Å] interactions, forming a three-dimensional structure.

Sign in / Sign up

Export Citation Format

Share Document