scholarly journals Crystal structure of tris(1,10-phenanthroline-κ2N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate

2015 ◽  
Vol 71 (1) ◽  
pp. m8-m9 ◽  
Author(s):  
Kazunori Teramoto ◽  
Takeshi Kawasaki ◽  
Toshikazu Nishide ◽  
Yasuhisa Ikeda
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Counter Anion ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Weak Hydrogen Bonds ◽  
Group 2

The crystal structure of the title complex, [Fe(C12H8N2)3][(CF3SO2)2N]2·H2O, is constructed by one octahedral [Fe(phen)3]2+(phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf2N−[bis(trifluoromethylsulfonyl)imide] anions, and one water molecule of crystallization (point group 2). The Fe—N bond lengths are indicative of ad6low-spin state for the FeIIion in the complex. The dihedral angle between the phen ligands in the cation is 87.64 (6)°. The Tf2N−counter-anion is non-coordinating, with the –CF3groups arranged in atransfashion with respect to each other, leading to ananti,anticonformation of the –CF3groups and –SO2N– moieties relative to the S—C bonds. The water molecule of crystallization connects two O atoms of the Tf2N−anions through weak hydrogen bonds. C—H...O hydrogen-bonding interactions are also observed, consolidating the packing of the molecules into a three-dimensional network structure.

scholarly journals Crystal structure of Ag2(μ-SCN)2(NH3)4

2016 ◽  
Vol 72 (7) ◽  
pp. 881-883 ◽  
Author(s):  
Thomas G. Müller ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Liquid Ammonia ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Binuclear Molecule ◽  
Thiocyanate Ligand ◽  
Argentophilic Interactions

Di-μ-thiocyanato-bis[diamminesilver(I)], [Ag2(μ-SCN)2(NH3)4], was synthesized by the reaction of AgSCN with anhydrous liquid ammonia. In the binuclear molecule, the AgIatom is coordinated by two ammine ligands and the S atom of one thiocyanate ligand. Two of these [Ag(SCN)(NH3)2] units are bridged by the S atoms of the thiocyanate anions at longer distances, leading to a dimer with point group symmetryC2. The distance between the AgIatoms in the dimer is at 3.0927 (6) Å within the range of argentophilic interactions. The crystal structure displays N—H...N and N—H...S hydrogen-bonding interactions that build up a three-dimensional network.

scholarly journals New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K

2019 ◽  
Vol 75 (9) ◽  
pp. 1386-1388
Author(s):  
Trpimir Ivšić ◽  
David Wenhua Bi ◽  
Arnaud Magrez
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Structural Parameters ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Hydrogen Atoms ◽  
Dimensional Network ◽  
Structure Determinations ◽  
Insight Into

The crystal structure of [ZnCl2(NH3)2], diamminedichloridozinc, was re-investigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with previous crystal structure determinations [MacGillavry & Bijvoet (1936). Z. Kristallogr. 94, 249–255; Yamaguchi & Lindqvist (1981). Acta Chem. Scand. 35, 727–728], an improved precision of the structural parameters was achieved. In the crystal, tetrahedral [Zn(NH3)2Cl2] units (point-group symmetry mm2) are linked through N—H...Cl hydrogen bonds into a three-dimensional network.

scholarly journals Crystal structure of 1-ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1H)-one

2018 ◽  
Vol 74 (7) ◽  
pp. 901-904 ◽  
Author(s):  
Nicolas Chrysochos ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Functional Group ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Bonding Interaction ◽  
Weak Hydrogen Bonds

The title compound I, C13H10N2O2S2, crystallizes in the monoclinic space group C2/c with eight molecules in the unit cell. Excluding for the ethyl substituent, the molecule of I adopts a nearly coplanar conformation (r.m.s. deviations is 0.058 Å), which is supported by the intramolecular C—H...O hydrogen-bonding interaction between the two ring systems [C...O = 2.859 (3) Å]. In the crystal, the molecules form dimeric associates via two bifurcated C—H...O hydrogen-bonding interactions between an ene hydrogen atom and a carbonyl functional group of an adjacent molecule [C...O = 3.133 (3) Å] and vice versa. The crystal structure is further stabilized by a three-dimensional network of weak hydrogen bonds between one molecule and six adjacent molecules as well as offset π–π stacking. The combination of the quinoxaline 2(1H)-one moiety with the dithiocarbonate moiety extends the aromaticity of the quinoxaline scaffold towards the substituent as well as influencing the π-system of the quinoxaline. The title compound is the direct precursor for a dithiolene ligand mimicking the natural cofactor ligand molybdopterin.

scholarly journals Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data

2017 ◽  
Vol 73 (5) ◽  
pp. 755-758
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Three Dimensional ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Dichromate Anions

The asymmetric unit of the hydrated title salt, (C10H28N4)[Cr2O7]2·H2O [C10H28N4= H4(cyclam) = 1,4,8,11-tetraazoniacyclotetradecane], contains two half-cations (both completed by crystallographic inversion symmetry), two dichromate anions and one water molecule. The two [CrO7]2−anions exhibit a nearly staggered conformation, with bridging angles of 133.37 (11) and 136.28 (12)°. The distortions of the dichromate anions are due to their participation in hydrogen-bonding interactions with the water molecule and the cations. Intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the dichromate anions as acceptor groups give rise to a three-dimensional network.

scholarly journals Crystal structure of tris(ethylenediammonium) hexasulfatopraseodymium(III) hexahydrate

2014 ◽  
Vol 70 (10) ◽  
pp. 235-237 ◽  
Author(s):  
Peter Held
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Water Molecules ◽  
Point Group Symmetry ◽  
Framework Structure ◽  
Crystal Water ◽  
Medium Strength

In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the PrIIIcation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water molecule [range of Pr—O bond lengths 2.383 (3) to 2.582 (3) Å]. The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010). Two crystal water molecules and two ethylenediammonium cations (one with point group symmetry -1) connect the sheetsviaO—H...O and N—H...O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

scholarly journals Crystal structure of tin(IV) chloride octahydrate

2014 ◽  
Vol 70 (12) ◽  
pp. 480-482 ◽  
Author(s):  
Erik Hennings ◽  
Horst Schmidt ◽  
Wolfgang Voigt
Keyword(s):  
Crystal Structure ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Water Molecules ◽  
Point Group Symmetry ◽  
Complex Molecules ◽  
Lattice Water ◽  
Dimensional Network ◽  
Solid Liquid

The title compound, [SnCl4(H2O)2]·6H2O, was crystallized according to the solid–liquid phase diagram at lower temperatures. It is built-up of SnCl4(H2O)2octahedral units (point group symmetry 2) and lattice water molecules. An intricate three-dimensional network of O—H...O and O—H...Cl hydrogen bonds between the complex molecules and the lattice water molecules is formed in the crystal structure.

scholarly journals Crystal structure of di-μ-aqua-μ-(pyrazineN,N′-dioxide)-κ2O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazineN,N′-dioxide monosolvate

2015 ◽  
Vol 71 (12) ◽  
pp. 1467-1470
Author(s):  
Elaine P. Boron ◽  
Kelsey K. Carter ◽  
Jacqueline M. Knaust
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Coordination Networks ◽  
Dimensional Network ◽  
Solvent Molecules ◽  
Water Ligands

The search for novel lanthanide coordination networks using pyrazineN,N′-dioxide (pzdo, C4H4N2O2) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na2(C4H4N2O2)(H2O)6][B(C6H5)4]2·C4H4N2O2·2H2O. The crystal structure is comprised of discrete [{Na(H2O)2}2(μ-H2O)2(μ-pzdo)]2+cations and tetraphenylborate anions, as well as pzdo and H2O solvent molecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related NaIatoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H...O hydrogen bonds link the dinuclear cation and solvent pzdo molecules (point-group symmetry -1) into rectangular grid-like layers parallel to thebcplane. Additional C—H...O, O—H...O, C—H...π and O—H...π interactions link the anion and solvent water molecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H...π and O—H...π hydrogen bonds involving the tetraphenylborate anion.

scholarly journals Crystal structure of an unknown solvate of dodecakis(μ2-alaninato-1:2κ2O:N,O)cerium(III)hexanickel(II) aquatris(hydroxido-κO)tris(nitrato-κ2O,O′)cerate(III)

2015 ◽  
Vol 71 (10) ◽  
pp. m183-m184 ◽  
Author(s):  
Stanislav I. Bezzubov ◽  
Vladimir D. Doljenko ◽  
Andrei V. Churakov ◽  
Irina S. Zharinova ◽  
Yuri M. Kiselev
Keyword(s):  
Water Molecule ◽  
Rotation Axis ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Acta Cryst ◽  
Water Solvent ◽  
Dimensional Network ◽  
Metal Organic ◽  
Solvent Molecules

The chiral title compound, [CeNi6(C3H6NO2)12][Ce(NO3)3(OH)3(H2O)], comprises a complex heterometallic Ni/Ce cation and a homonuclear Ce anion. Both the cation and anion exhibit point group symmetry 3. with the CeIIIatom situated on the threefold rotation axis. The cation metal core consists of six NiIIatoms coordinated in a slightly distorted octahedral N2O4configuration by N and O atoms of 12 deprotonated L-alaninate ligands exhibiting both bridging and chelating modes. This metal–organic coordination motif encapsulates one CeIIIatom that shows an icosahedral coordination by the O-donor atoms of the L-alaninate ligands, with Ce—O distances varying in the range 2.455 (5)–2.675 (3) Å. In the anion, the central CeIIIion is bound to three bidentate nitrate ligands, to three hydroxide ligands and to one water molecule, with Ce—O distances in the range 2.6808 (19)–2.741 (2) Å. The H atoms of the coordinating water molecule are disordered over three positions due to its location on a threefold rotation axis. Disorder is also observed in fragments of two L-alaninate ligands, with occupancy ratios of 0.608 (14):0.392 (14) and 0.669 (8):0.331 (8), respectively, for the two sets of sites. In the crystal, the complex cations and anions assemble through O—H...O and N—H...O hydrogen bonds into a three-dimensional network with large voids of approximately 1020 Å3. The contributions of highly disordered ethanol and water solvent molecules to the diffraction data were removed with the SQUEEZE procedure [Spek (2015).Acta Cryst.C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown amount of these solvent molecules.

scholarly journals Caesium tetramethylammonium dodecahydrido-closo-dodecaborate monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Thomas Schleid
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Coordination Sphere ◽  
Three Dimensional ◽  
Double Salt ◽  
Asymmetric Unit ◽  
Dihydrogen Bonds ◽  
Dimensional Network

In the crystal structure of the hydrated double salt, Cs+·[N(CH3)4]+·[B12H12]2−·H2O, the asymmetric unit contains one caesium and one tetramethylammonium cation, one dodecahydrido-closo-dodecaborate anion and one water molecule. The Cs+cation is coordinated tetrahedrally by four [B12H12]2−clusters, with the water molecule completing the coordination sphere. The tetramethylammonium cation is surrounded distorted octahedrally by six [B12H12]2−anions. The crystal structure is stabilized by a three-dimensional network of O—H...H—B and C—H...H—B dihydrogen bonds.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

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