Zur Kristallchemie von Supersäuren: Bildung und Struktur der tiefschmelzenden Addukte SbF5 · CF3SO3H und SbF5 · 7 HF [1] / Crystal Chemistry of Superacids: Formation and Structure of the Low-Melting Adducts SbF5 · CF3SO3H and SbF5 · 7 HF [1]

1991 ◽  
Vol 46 (12) ◽  
pp. 1659-1663 ◽  
Author(s):  
Dietrich Mootz ◽  
Klemens Bartmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Chemistry ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Melting Diagram ◽  
Complex Molecules ◽  
One Dimensional

The melting diagram of the superacid system SbF5—CF3SO3H as well as of SbF5—HF has been studied by DTA and the crystal structure of one newly found low-melting adduct in each case determined. The adduct SbF5 · CF3SO3H (m.p. — 1°C, monoclinic, space group P21/c, Z = 4 formula units per unit cell) is composed of complex molecules F5SbOS(CF3)(O)OH which are linked by strong hydrogen bonds O-H ···F to infinite chains. The adduct SbF5 · 7HF (melting incongruently at —75°C, monoclinic, I 2/m, Z = 2) is a fluoronium salt, (H7F6)SbF6. The novel H7F6+ cation is formed as an unbranched chain by very strong hydrogen bonds between the respective F atoms, which become weaker from the center to the ends. A further hydrogen bond of this kind, between the cations and the octahedral SbF6- anions, again leads to a one-dimensional polymer.

Polysulfonylamine, CLXXXIX [1]. Weitere Beispiele für die O-Protonierung von Harnstoffen mit Di(organosulfonyl)aminen: Bildung und Kristallstrukturen von 1,1-Dimethyluroniumdi( 4-fluorbenzolsulfonyl)amid und Di(1-methylharnstoff)- hydrogen(I)-di(4-fluorbenzolsulfonyl)amid/ Polysulfonylamines, CLXXXIX. Additional Examples of the O-Protonation of Ureas by Di(organosulfonyl)amines: Formation and Crystal Structures of 1,1-Dimethyluronium Di(4-fluorobenzenesulfonyl)amide and Di(1-methylurea)hydrogen(I)Di(4-fluorobenzenesulfonyl) amide

2010 ◽  
Vol 65 (11) ◽  
pp. 1363-1371 ◽  
Author(s):  
Christoph Wölper ◽  
Alejandra Rodríguez-Gimeno ◽  
Katherine Chulvi Iborra ◽  
Peter G. Jones ◽  
Armand Blaschette
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Petroleum Ether ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
One Dimensional ◽  
Bond Lengths ◽  
Ionic Compounds ◽  
Specific Elongation

Co-crystallization of N-methyl-substituted ureas with di(organosulfonyl)amines, (RSO2)2NH, leads unpredictably to either molecular co-crystals or, via proton transfer, to uronium salts. As a sequel to former reports, this communication describes the formation and the crystal structures of the new ionic compounds 1,1-dimethyluronium di(4-fluorobenzenesulfonyl)amide (1, monoclinic, space group P21/c, Z´ = 1) and di(1-methylurea)hydrogen(I) di(4-fluorobenzenesulfonyl)amide (2, triclinic, P1̄, Z´ = 1); both salts were obtained from dichloromethane/petroleum ether. In the structure of 2, the urea moieties of the cationic homoconjugate are connected by a very short [O-H· · ·O]+ hydrogen bond [d(O· · ·O) = 244.6(2) pm, θ (O-H· · ·O)≈170°, bridging H atom asymmetrically disordered over two positions]. The O-protonation induces a specific elongation of the C-O bond lengths to 131.2(2) pm in 1 or 129.5(2) and 127.4(2) pm in 2, as compared to literature data of ca. 126 pm for the unprotonated ureas. Both crystal structures are dominated by conventional two- and threecentre hydrogen bonds, which involve the OH and all NH donors and give rise to one-dimensional cation-anion arrays. In particular, the ionic entities of 1 are alternatingly associated into simple chains propagated by glide-plane operations parallel to the c axis, whereas the donor-richer structure of 2 displays inversion symmetric dimers of formula units, which are further hydrogen-bonded into strands propagated by translation parallel to the a axis.

scholarly journals Nickel alendronate

2012 ◽  
Vol 68 (6) ◽  
pp. m820-m821 ◽  
Author(s):  
Małgorzata Sikorska ◽  
Maria Gazda ◽  
Jaroslaw Chojnacki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Hydrothermal Conditions ◽  
Complex Molecules ◽  
Hydrogen Bond System ◽  
Bond System

The title compound {systematic name: bis(μ2-dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)bis[aqua(dihydrogen 4-azaniumyl-1-hydroxybutane-1,1-diphosphonato)nickel(II)] dihydrate}, [Ni2(C4H12NO7P2)4(H2O)2]·2H2O, was synthesiized under hydrothermal conditions. Its structure is isotypic with the CoII analogue. The crystal structure is built up from centrosymmetric dinuclear complex molecules and the structure is reinforced by a net of intermolecular O—H...O and N—H...O hydrogen bonds. One water molecule is bound to the NiII atom in the octahedral coordination sphere, while the second is part of the intermolecular hydrogen-bond system.

Solid-state and Calculated Electronic Structure of 4-Acetylpyrazole

2014 ◽  
Vol 69 (7) ◽  
pp. 839-843 ◽  
Author(s):  
Guido D. Frey ◽  
Wolfgang W. Schoeller ◽  
Eberhardt Herdtweck
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Electronic Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Carbonyl Group ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Ribbon Structure

The crystal structure of 1-(1H-pyrazol-4-yl)ethanone (commonly known as 4-acetylpyrazole; C5H6N2O) was determined from single-crystal X-ray data at 173 K: monoclinic, space group P21/n (no. 14), a = 3.865(1), b = 5.155(1), c = 26.105(8) Å, β = 91.13(1)°, V = 520.0(2) Å3 and Z = 4. The adjacent molecules assemble into a wave-like ribbon structure in the solid state, linked by strong intermolecular N-H...N hydrogen bonds between the pyrazole rings and a weak C-H...O=C hydrogen bond involving the carbonyl group. The ribbons are stacked in the solid state via weak π interactions between the pyrazole rings.

scholarly journals (E)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine-2,4-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
K. Balakumaran ◽  
J. Mosesbabu ◽  
Jayashree Anireddy ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
One Dimensional ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Graph Set ◽  
Thiazolidine Ring

In the title compound, C19H18N2O3S, the thiazolidine ring makes dihedral angles of 46.97 (8) and 7.19 (9)° with the pyridine and benzene rings, respectively. The intramolecular structure is stabilized by a weak C—H...S hydrogen bond, which generates a S(6) graph-set motif, and a weak C—H...O contact. In the crystal, N—H...N and C—H...O hydrogen bonds leads to infinite one-dimensional chains along (201) and generate an R 2 2(7) ring-set motif. The crystal structure is further consolidated by weak π–π [centroid-to-centroid distance = 3.8204 (10) Å] interactions.

Crystal Structure of 3-Indolepropionic Acid

2013 ◽  
Vol 454 ◽  
pp. 272-275
Author(s):  
Li Hua Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Ethanol Solution ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Single Crystal Diffraction ◽  
One Dimensional ◽  
X Ray

The crystals of 3-indolepropionic acid have been obtained by evaporation from ethanol solution. The crystal structure of the 3-indolepropionic acid was determined by X-ray single crystal diffraction analysis. The crystal data for 3-indolepropionic acid: monoclinic, space group P2(1)/c, a = 14.3592(8) Å, b = 5.2446(2) Å, c = 12.3518(6) Å, V = 926.96(8) Å3, Z = 4, Mr = 189.21, De = 1.356 g/cm3, T = 298(2) K, F (000) = 400, R = 0.0435 and wR = 0.1010. The compound forms one-dimensional chained structure through hydrogen bonds and π-π interaction.

scholarly journals The Synthesis and Crystal Structure of N-tert-Butyl-3-(tert-butylimino)-2-nitropropen-1 -amine

1993 ◽  
Vol 48 (8) ◽  
pp. 1138-1142 ◽  
Author(s):  
Daryl L. Ostercamp ◽  
Lisa M. Preston ◽  
Kay D. Onan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Solid State ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Tert Butyl ◽  
Intramolecular Hydrogen ◽  
Hydrolysis Of

The unit cell of N-tert-butyl-3-(tert-butylimino)-2-nitropropen-1-amine (4) is monoclinic, space group P21/C, with a = 9.669(4), b = 16.415(6), c = 17.341 (7) Å, and Z = 4. Hydrolysis of 4 leads to (E)-3-(N-tert-butylamino)-2-nitro-2-propenal (5), whose unit cell is monoclinic, space group P21/n, with a = 6.821(1), b = 20.707(6), c = 6.303(1)Å, and Z = 4. Compounds 4 and 5 both possess C2 symmetry in the solid state, their “U-shaped” conjugated cores being essentially planar. In each case this planarity is enforced by an intramolecular hydrogen bond.

scholarly journals Crystal structure of 1-methylimidazole 3-oxide monohydrate

2017 ◽  
Vol 73 (3) ◽  
pp. 372-374
Author(s):  
Christopher S. Frampton ◽  
James I. Murray ◽  
Alan C. Spivey
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Unit Cell ◽  
Planar Geometry ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Axis Direction

1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C4H6N2O·H2O, in the monoclinic space groupP21withZ′ = 2 (moleculesAandB). The imidazole rings display a planar geometry (r.m.s. deviations = 0.0008 and 0.0002 Å) and are linked in the crystal structure into infinite zigzag strands of ...NMI-O(A)...OH2...NMI-O(B)...OH2... units by O—H...O hydrogen bonds. These chains propagate along theb-axis direction of the unit cell.

scholarly journals Crystal structure of 7,8,15,16,17-pentathiadispiro[5.2.59.36]heptadecane

2019 ◽  
Vol 75 (6) ◽  
pp. 888-891 ◽  
Author(s):  
Robert Hofstetter ◽  
Benedict J. Elvers ◽  
Felix Potlitz ◽  
Andreas Link ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Related Molecule ◽  
One Dimensional ◽  
Compound C ◽  
The One ◽  
Parallel Fashion ◽  
Cyclohexyl Group

The title compound, C12H20S5, crystallizes in the monoclinic space group P21/c with four molecules in the unit cell. In the crystal, the asymmetric unit comprises the entire molecule with the three cyclic moieties arranged in a line. The molecules in the unit cell pack in a parallel fashion, with their longitudinal axes arranged along a uniform direction. The packing is stabilized by the one-dimensional propagation of non-classical hydrogen-bonding contacts between the central sulfur atom of the S3 fragment and the C—H of a cyclohexyl group from a glide-related molecule [C...S = 3.787 (2) Å].

Oxotetrafluoro-vanadate(V): Die Kristallstruktur von [enH2] [VOF4(H2O)]2.

1976 ◽  
Vol 31 (5) ◽  
pp. 541-543 ◽  
Author(s):  
Helmut Rieskamp ◽  
Rainer Mattes
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Trans Position ◽  
Space Group ◽  
X Ray ◽  
In Trans ◽  
Oxygen Atoms

The crystal structure of [enH2][VOF4(H2O)]2 has been determined from X-ray diffractometer data. Crystals are monoclinic, space group C2/c with Z = 4 in a unit cell of dimensions a = 16.576(13), b = 7.781(4), c = 10.338(8) Å, β = 120.0(1)°.The structure was refined by least-squares methods to R 0.053 for 1436 reflections. The structure contains monomeric [VOF4(H2O)]⁻-ions with the oxygen atoms in trans position. The bond distances are 1.577 Å (terminal oxygen) and 2.333 Å (H2O molecule), resp. The V–F distances vary between 1.769(2) and 1.858(2) Å for fluorine atoms involved in strong hydrogen bonds.

One-Dimensional Chained Polymer Constructed by 3-Indolepropionic Acid and 2,2'-Bipyridinium

2013 ◽  
Vol 454 ◽  
pp. 276-279
Author(s):  
Li Hua Wang ◽  
Zhi Xiang Ji
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Ethanol Solution ◽  
Monoclinic Space Group ◽  
Single Crystal Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
3D Network ◽  
The One

The crystals of one-dimensional chained polymer constructed by 3-indolepropionic acid and 2,2-bipyridinium have been synthesized by evaporation from ethanol solution. The crystal structure of one-dimensional chained polymer was determined by X-ray single crystal diffraction analysis. The results shows that the polymer belongs to monoclinic, space group P2(1)/c, a = 5.2557(11) Å, b = 12.249(2) Å, c = 21.467(4) Å, V = 1380.1(5) Å3, Z = 2, Mr = 531.58, De = 1.279 g/cm3, T = 293(2) K, F (000) = 558, R = 0.1136 and wR = 0.3376. The compound forms one-dimensional chained polymer through hydrogen bonds. 3D network structure was constructed by the interaction of the one-dimensional chained polymer.

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