scholarly journals Double salt crystal structure of nonasodium dihydrogen nonavanadoplatinate(IV) trihydrogen nonavanadoplatinate(IV) tetracontahydrate: stepwise-protonated nonavanadoplatinate(IV)

2015 ◽  
Vol 71 (7) ◽  
pp. 786-790 ◽  
Author(s):  
Hea-Chung Joo ◽  
Ki-Min Park ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
Water Molecules ◽  
Salt Crystal ◽  
The Third ◽  
Bond Valence Sum ◽  
Difference Fourier

Nonavanadoplatinate [PtIVV9O28]7−, which is the first heteropolyoxovanadate in the decavanadate framework, [V10O28]6−, has been investigated crystallographically. The title compound, Na9[H2PtIVV9O28][H3PtIVV9O28]·40H2O, was obtained by a hydrothermal reaction at pH = 2. This compound contains two different protonated heteropolyoxovanadates, [H2PtIVV9O28]5−[polyanion (A)] and [H3PtIVV9O28]7−[polyanion (B)]. The locations of the H atoms on the protonated O atoms were observed in difference Fourier maps and confirmed by the interpolyanion hydrogen bonds, bond-length elongation and bond-valence-sum (VBS) analysis. The two (Pt and V)-bound μ2-O atoms are protonated in both polyanions. The position of the third protonated O atom in polyanion (B) is an interesting feature of the structure, being located on one (V2)-bound μ2-O atom. The discrete heteropolyanions form a dimer, {H5[PtV9O28]2}9−, through five interpolyanion hydrogen bonds. Additional O—H...O hydrogen bonds and interactions between Na+cations and water molecules as well as terminal O atoms of one of the polyanions consolidate the crystal packing.

scholarly journals Double salt crystal structure of hexasodium hemiundecahydrogenα-hexamolybdoplatinate(IV) heminonahydrogenα-hexamolybdoplatinate(IV) nonacosahydrate: dihydrogen disordered-mixture double salt

2015 ◽  
Vol 71 (10) ◽  
pp. 1250-1254 ◽  
Author(s):  
Hea-Chung Joo ◽  
Ki-Min Park ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydrothermal Reaction ◽  
Bond Distance ◽  
Bond Valence ◽  
Double Salt ◽  
Charge Balance ◽  
Salt Crystal ◽  
Bond Valence Sum ◽  
Difference Fourier

The title double salt containing two distinct, differently protonated hexamolybdoplatinate(IV) polyanions, Na6[H5.5α-PtMo6O24][H4.5α-PtMo6O24]·29H2O, has been synthesized by a hydrothermal reaction atcapH 1.80. The positions of the H atoms in the polyanions were established from difference Fourier maps and confirmed by the interpolyanion hydrogen bonds, bond-distance elongation, and bond-valence sum (BVS) calculations. The fractional numbers of H atoms in each polyanion are required for charge balance and in order to avoid unrealistically short H...H distances in the interpolyanion hydrogen bonds. Considering the disorder, the refined formula of the title polyanion, {[H5.5α-PtMo6O24]; polyanion (A) and [H4.5α-PtMo6O24]; polyanion (B)}6−, can be rewritten as a set of real formula,viz. {[H6α-PtMo6O24]; polyanion (A). [H4α-PtMo6O24]; polyanion (B)}6−and {[H5α-PtMo6O24]; polyanion (A). [H5α-PtMo6O24]; polyanion (B)}6−. The polyanion pairs both form dimers of the same formula,viz. {[H10α-Pt2Mo12O48]}6−connected by seven interpolyanion O—H...O hydrogen bonds.

scholarly journals Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ4N]iron(III) diaqua(18-crown-6)potassium bis(trifluoromethanesulfonate)–18-crown-6 (1/2)

2015 ◽  
Vol 71 (12) ◽  
pp. m215-m216
Author(s):  
Leila Ben Haj Hassen ◽  
Zouhour Denden ◽  
Yoann Rousselin ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
High Spin ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
One Dimensional ◽  
Phenyl Rings

In the title compound, [FeIII(C48H36N4O2)(H2O)2][K(C12H24O6)(H2O)2](SO3CF3)2·2C12H24O6, the FeIIIatom is situated on an inversion centre and is octahedrally coordinated by four pyrrole N atoms of the deprotenated 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinate ligand and two water molecules. The average equatorial Fe—N(pyrrole) bond length [2.043 (6) Å] is consistent with a high-spin (S= 5/2) iron(III) metalloporphyrin derivative. The K+cation, which also lies on an inversion centre, is chelated by the six O atoms of one 18-crown-6 molecule and is additionally coordinated by two water molecules in a distorted hexagonal–bipyramidal geometry. In the crystal, the cations, anions and one non-coordinating 18-crown-6 molecule are linked by classical O—H...O hydrogen bonds and non-conventional C—H...O hydrogen bonds, leading to a one-dimensional supramolecular architecture along [10-1]. The crystal packing is further stabilized by weak C—H...π interactions involving pyrrole and phenyl rings of the porphyrins, as well as weak C—H...F contacts involving the (SO3CF3)−counter-ion and the 18-crown-6 molecules.

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 1,1′-(pyridine-2,6-diyl)bis[N-(pyridin-2-ylmethyl)methanaminium] dichloride dihydrate

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Layachi Merabet ◽  
Marine Tassé ◽  
Sonia Mallet-Ladeira ◽  
Lakhemici Kaboub ◽  
Isabelle Malfant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Π Interactions ◽  
Lattice Water ◽  
Compound C

In the title compound, C19H23N5 2+·2Cl−·2H2O, the two pyridine side arms are not coplanar, with the terminal pyridine rings subtending a dihedral angle of 26.45 (6)°. In the crystal, hydrogen bonds, intermolecular C—H...Cl contacts and a weak C—H...O interaction connect the molecule with neighbouring chloride counter-anions and lattice water molecules. The crystal packing also features by π–π interactions with centroid-centroid distances of 3.4864 (12) and 3.5129 (13) Å.

catena-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]

2007 ◽  
Vol 63 (11) ◽  
pp. m2646-m2647 ◽  
Author(s):  
Jing Li ◽  
Dapeng Dong ◽  
Yanyu Zhu ◽  
Zhengang Sun ◽  
Hui Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Hydrothermal Reaction ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Coordinated Water ◽  
Hydroxy Groups

The title compound, [Cu{HO3PCH(OH)CO2}(H2O)]·2H2O, was prepared by a hydrothermal reaction. The distorted square-pyramidal coordination geometry of copper(II) is built up of one phosphonate O atom, one hydroxy O atom, two carboxylate O atoms and one water molecule. In the crystal structure, a number of O—H...O hydrogen bonds involving the hydroxy groups, carboxylate O atoms, phosphonate O atoms, and uncoordinated and coordinated water molecules are found.

1-Benzoyl-3-(4-chlorophenyl)thiourea

2006 ◽  
Vol 62 (4) ◽  
pp. o1419-o1420 ◽  
Author(s):  
M. Khawar Rauf ◽  
Amin Badshah ◽  
Ulrich Flörke ◽  
Aamer Saeed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C

In the crystal structure of the title compound, C14H11ClN2OS, the dihedral angle between the two aromatic ring planes is 43.93 (6)°. The crystal packing shows dimers formed by intermolecular N—H...S hydrogen bonds which are stacked along [100].

scholarly journals Diaquabis(2,2′-bi-1H-imidazole)manganese(II) benzene-1,4-dicarboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. m829-m829
Author(s):  
Lining Yang ◽  
Yanxiang Zhi ◽  
Jiahui Hei ◽  
Yanqing Miao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Mn(C6H6N4)2(H2O)2](C8H4O4), contains one-half each of the centrosymmetric cation and anion. The MnII atom is coordinated by four N atoms [Mn—N = 2.2168 (14) and 2.2407 (14) Å] from two 2,2′-biimidazole ligands and two water molecules [Mn—O = 2.2521 (14) Å] in a distorted octahedral geometry. Intermolecular N—H...O and O—H...O hydrogen bonds consolidate the crystal packing, which also exhibits π–π interactions between five-membered rings, with a centroid–centroid distance of 3.409 (2) Å.

scholarly journals Crystal structure of zwitterionic 2-[bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate

2016 ◽  
Vol 72 (2) ◽  
pp. 229-232
Author(s):  
Hongyang Zhang ◽  
Ge Feng ◽  
Alexander S. Filatov ◽  
Richard F. Jordan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Water Molecules ◽  
Sulfonate Group ◽  
Centrosymmetric Dimer ◽  
Bond Lengths ◽  
Compound C

In the title compound, C21H21O5PS·H2O·CH2Cl2, the phosphonium–sulfonate zwitterion has the acidic H atom located on the P atom rather than the sulfonate group. The S—O bond lengths [1.4453 (15)–1.4521 (14) Å] are essentially equal. In the crystal, the water molecules bridge two zwitterionsviaOwater—H...Osulfonatehydrogen bonds into a centrosymmetric dimer. The dimers are further linked by weak CAryl—H...Osulfonatehydrogen bonds into chains extending along [100]. The PH+group is not involved in intermolecular interactions.

scholarly journals Crystal structure of bis(acetato-κ2 O,O′)diaqua[1-(pyridin-2-ylmethylidene-κN)-2-(pyridin-2-yl-κN)hydrazine-κN 1]terbium(III) nitrate monohydrate

2017 ◽  
Vol 73 (8) ◽  
pp. 1121-1124 ◽  
Author(s):  
NDiaye Mbossé Gueye ◽  
Dieng Moussa ◽  
Elhadj Ibrahima Thiam ◽  
Aliou Hamady Barry ◽  
Mohamed Gaye ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bond Lengths ◽  
Nitrate Anions ◽  
Trigonal Prismatic

In the title compound, [Tb(C2H3O2)2(C11H10N4)(H2O)2]NO3·H2O, the Tb3+ ion is nine-coordinated in a distorted tricapped trigonal-prismatic geometry by the three N atoms of the tridentate 1-(pyridin-2-ylmethylidene)-2-(pyridin-2-yl)hydrazine ligand, four carboxylate O atoms of two chelating acetate groups and two O atoms of the coordinating water molecules. The organic hydrazine ligand is disordered over two orientations with a refined occupancy ratio of 0.52 (3):0.48 (3). All bond lengths in the coordination environment of the Tb3+ ion are slightly larger than those observed in the isostructural Y3+ and Er3+ complexes. In the crystal, the complex cations are linked by pairs of O—H...O hydrogen bonds into dimers. These dimers, nitrate anions and non-coordinating water molecules are joined by O—H...O and N—H...O hydrogen bonds into a three-dimensional structure.

scholarly journals 1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate

2012 ◽  
Vol 68 (4) ◽  
pp. m353-m353 ◽  
Author(s):  
Vincent O. Nyamori ◽  
Siphesihle M. Zulu ◽  
Bernard Omondi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Imidazole Ring ◽  
Interplanar Angle ◽  
The Ideal

The crystal structure of the title compound, [Fe(C5H5)(C10H12N2)]PF6, consists of a ferrocene-1-methyl-(3-methylimidazolium) cation and a hexafluoridophosphate anion. The ferrocenyl rings are skewed by 6.7 (4)° from the ideal eclipsed conformation. The interplanar angle between the plane of the substituted cyclopentadienyl ring and that of the imidazole ring is 89.9 (4)°. The crystal packing is stabilized by C—H...F hydrogen bonds.

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