scholarly journals Crystal structure of bis(4-methoxypyridine-κN)(meso-5,10,15,20-tetraphenylporphyrinato-κ4 N,N′,N′′,N′′′)iron(III) perchlorate

2019 ◽  
Vol 75 (6) ◽  
pp. 762-765
Author(s):  
Morten K. Peters ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Charge Balance ◽  
Rotation Axes ◽  
Porphyrin Moiety

In the crystal structure of the title compound, [Fe(C44H28N4)(C6H7NO)2]ClO4, the FeIII ions are coordinated in an octahedral fashion by four N atoms of the porphyrin moiety and two N atoms of two 4-methoxypyridine ligands into discrete complexes that are located on inversion centers. Charge-balance is achieved by perchlorate anions that are disordered around twofold rotation axes. In the crystal structure, the discrete cationic complexes and the perchlorate anions are arranged into layers with weak C—H...O interactions between the cations and the anions. The porphyrin moieties of neighboring layers show a herringbone-like arrangement.

scholarly journals Crystal structure of undecapotassium bis[α-hemipentahydrogen hexamolybdoplatinate(IV)] dodecahydrate

2015 ◽  
Vol 71 (8) ◽  
pp. 986-988 ◽  
Author(s):  
Hea-Chung Joo ◽  
Ki-Min Park ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Hydrothermal Reaction ◽  
Mirror Plane ◽  
Chemical Formula ◽  
Charge Balance ◽  
Compound K ◽  
Rotation Axes ◽  
Difference Fourier

The title compound, K11[α-Pt(μ3-OH)2(μ3-OH0.5)Mo6(μ3-O)3(μ2-O)6O12]2·12H2O (simplified chemical formula K11[H2.5PtMo6O24]2·12H2O), containing the well-known Anderson-type heteropolyoxomolybdate anion, was obtained by hydrothermal reaction at pH =ca6.0. The complete polyanion dimer has 2/msymmetry. The locations of the H atoms with respect to protonated O atoms were obtained from difference Fourier maps, and confirmed by the interpolyanion hydrogen bonds, bond-length elongation and bond-valence sums (BVSs). The title heteropolyanion has two types of protonated O atomsviz.μ3-OH, {Mo2–O(H)–Pt} and μ3-OH0.5(disordered H atom). The [H2.5α-PtMo6O24]5.5−polyanion forms a dimer, [(H2.5α-PtMo6O24)2]11−, held together by two pairs of μ3-O—H...μ1-O and of one disordered μ3-O...H...μ3-O hydrogen bonds. Three K+ions are located on special positions (two on twofold rotation axes, one on a mirror plane), and two K+ions are located on general positions with a reduced occupancy of 0.5. The remaining K+ion has a reduced occupancy of 0.25 for charge balance and reasonable displacement parameters. As a result, the numbers of K+and H+ions in the title compound are 5.5 and 2.5, respectively.

scholarly journals Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate

2015 ◽  
Vol 71 (12) ◽  
pp. m275-m276 ◽  
Author(s):  
Waqas Sethi ◽  
Heini V. Johannesen ◽  
Thorbjørn J. Morsing ◽  
Stergios Piligkos ◽  
Høgni Weihe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Nitrate Anions

The title compound, [Co2(L)2]3+·3NO3−[whereL= CH3C(CH2NHCH2CH2OH1/2)3], has been synthesized from the ligand 1,1,1-tris(2-hydroxyethylaminomethyl)ethane. The cobalt(III) dimer has an interesting and uncommon O—H...O hydrogen-bonding motif with the three bridging hydroxy H atoms each being equally disordered over two positions. In the dimeric trication, the octahedrally coordinated CoIIIatoms and the capping C atoms lie on a threefold rotation axis. The N atoms of two crystallographically independent nitrate anions also lie on threefold rotation axes. N—H...O hydrogen bonding between the complex cations and nitrate anions leads to the formation of a three-dimensional network structure. The compound is a racemic conglomerate of crystals containing either D or L molecules. The crystal used for this study is a D crystal.

scholarly journals Crystal structure of tris(2,2′-bipyridine)cobalt(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)

2019 ◽  
Vol 75 (2) ◽  
pp. 142-145
Author(s):  
Jamila Benabdallah ◽  
Zouaoui Setifi ◽  
Fatima Setifi ◽  
Habib Boughzala ◽  
Abderrahim Titi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Distorted Octahedron ◽  
Dimensional Structure ◽  
Cobalt Ion ◽  
Space Group ◽  
Three Dimensional Structure ◽  
Rotation Axes

In the title compound, [Co(C10H8N2)3](C9H5N4O)2, the tris(2,2′-bipyridine)cobalt(II) dication lies across a twofold rotation axes in the space group C2/c. The N atoms of the three bipyridine ligands form a distorted octahedron around the cobalt ion. All the N atoms of the polynitrile 1,1,3,3-tetracyano-2-ethoxypropenide anions participate in C—H...N hydrogen bonds ensuring crystal cohesion and forming a three-dimensional structure. The structure is further stabilized by C—H...π(cation) and anion...π(cation) interactions.

scholarly journals Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ4 N]zinc diethyl ether solvate

2018 ◽  
Vol 74 (11) ◽  
pp. 1609-1612 ◽  
Author(s):  
Lisa Leben ◽  
Eike Schaub ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Metal Cation ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Apical Position ◽  
Picket Fence ◽  
Ether Molecule ◽  
Porphyrin Moiety

The crystal structure of the title compound, [Zn(C48H24N8S4)(C4H10O)]·C4H10O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The ZnII cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether molecule in a slightly distorted square-pyramidal environment with the diethyl ether molecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether molecule. All four isothiocyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate molecules are located around a twofold rotation axis. The O atom of the solvent molecule is not positioned exactly on the twofold rotation axis, thus making the whole molecule equally disordered over two symmetry-related positions.

scholarly journals Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thiophen-2-yl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

2015 ◽  
Vol 71 (7) ◽  
pp. o477-o478
Author(s):  
N. L. Prasad ◽  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiophene Ring ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Rotation Axes ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N2O3S2, the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thiophene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thiophene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36 (19)°. In the crystal, pairs of very weak C—H...O hydrogen bonds link the molecules related by twofold rotation axes, formingR22(18) rings, which are in turn linked by another C—H...O interaction, forming chains of rings along [010]. In addition, weak C—H...π(thiophene) interactions link the chains into layers parallel to [001] and π–π interactions with a centroid–centroid distance of 3.772 (10) Å connect these layers into a three-dimensional network.

scholarly journals Crystal structure of Sc1.91In1.39Mo15Se19, containing Mo6and Mo9clusters

2015 ◽  
Vol 71 (7) ◽  
pp. 760-762 ◽  
Author(s):  
Patrick Gougeon ◽  
Philippe Gall ◽  
Diala Salloum
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Acta Cryst ◽  
Rotation Axes ◽  
Set Up

The structure of scandium indium pentadecamolybdenum nonadecaselenide, Sc1.91In1.39Mo15Se19, is isotypic with In2.9Mo15Se19[Grüttneret al.(1979).Acta Cryst.B35, 285–292]. It is characterized by two cluster units Mo6Sei8Sea6and Mo9Sei11Sea6(whereirepresents inner andaapical atoms) that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2band 2cand have point-group symmetry -3 and -6, respectively. The clusters are interconnected through additional Mo—Se bonds. Sc—Se and In—Se bonds complete the structural set-up. In the title compound, the Sc3+cations replace the trivalent indium atoms present in In2.9Mo15Se19, and a deficiency is observed at the monovalent indium site. One Mo, one Se and the Sc atom are situated on mirror planes, whereas two other Se atoms and the In atom are situated on threefold rotation axes.

scholarly journals Di-2-pyridyl disulfide–succinic acid (1/1)

2009 ◽  
Vol 65 (6) ◽  
pp. o1213-o1213 ◽  
Author(s):  
Cheng Zhang ◽  
Ling Yuan ◽  
Ji-Yong Liu ◽  
Wei Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Succinic Acid ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axes ◽  
Compound C

In the title compound, C10H8N2S2·C4H6O2, both components of the cocrystal lie on crystallographic twofold rotation axes. In the di-2-pyridyl disulfide molecule, the dihedral angle between the two pyridine rings is 66.6 (1)°. In the crystal structure, intermolecular O—H...N and weak C—H...O hydrogen bonds link both types of molecules into columns along thecaxis.

3,10-C-meso-2,5,5,7,9,12,12,14-Octamethyl-1,8-diaza-4,11-diazoniacyclotetradecane bis(thiocyanate)

2006 ◽  
Vol 62 (5) ◽  
pp. o1968-o1970 ◽  
Author(s):  
Ronald E. Benson ◽  
Tapashi G. Roy ◽  
Saroj K. S. Hazari ◽  
Kanak K. Barua ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Charge Balance ◽  
Compound C

The title compound, C18H42N4 2+·2CNS−, contains diprotonated cations located about centres of inversion, with charge balance provided by thiocyanate anions. Intermolecular N—H...N and N—H...S hydrogen bonds are formed in the crystal structure, which comprises columns of macrocyclic cations that define channels in which the thiocyanate anions reside.

scholarly journals Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine

2020 ◽  
Vol 76 (9) ◽  
pp. 1472-1475
Author(s):  
Emine Berrin Çınar ◽  
Semanur Yeşilbağ ◽  
Onur Erman Doğan ◽  
Erbil Ağar ◽  
Necmi Dege ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Surface Analysis ◽  
Title Compound ◽  
Heterocyclic Ring ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Rotation Axes ◽  
Compound C ◽  
The Mean

Molecules of the title compound, C16H16N2O2, occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the molecule form a dihedral angle of 72.01 (2)°. In the crystal, molecules are linked by pairs of C—H...O and N—H...C contacts into layers parallel to (100). H...H contacts make the largest contribution to the Hirshfeld surface (58.9%).

scholarly journals The crystal structure of bis[(E)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(E)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate, a structure containing strong inter-species hydrogen bonds

2018 ◽  
Vol 74 (8) ◽  
pp. 1121-1125
Author(s):  
Ugochukwu Okeke ◽  
Raymond Otchere ◽  
Yilma Gultneh ◽  
Ray J. Butcher
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Hydroxyl Groups ◽  
Charge Balance ◽  
Complex Molecules ◽  
Two Component

The title compound, [Ni(C14H12BrN2O)2][Ni(C14H13BrN2O)2](ClO4)2·CH3OH consists of two mononuclear ([Ni(HL)2]2+ and [NiL 2]) complex molecules linked by strong hydrogen bonding [O...O separations of only 2.430 (5) Å], which is the shortest reported to date for such species. In one of the complexes, both the coordinated phenoxy groups retain their protons and thus this is the cationic equivalent species of the other complex where both coordinated phenoxy groups are deprotonated. In addition, perchlorate anions are present for charge balance, as well as methanol solvate molecules. For the neutral NiL 2 complex, each 2-ethylaminepyridine arm is disordered over two equivalent conformations with occupancies of 0.750 (8):0.250 (8). The perchlorate anion is disordered over two equivalent conformations with occupancies of 0.602 (8):0.398 (8). The perchlorate ions also link to the H atoms on the methanol methyl and hydroxyl groups. These interactions link the moieties into a complex three-dimensional array. The crystal studied was refined as a two-component twin.

Sign in / Sign up

Export Citation Format

Share Document