scholarly journals Crystal Structure and Thermal Behavior of Two New Supramolecular Complexes Templated with 1,2,4,5-Benzenetetracarboxylic Acid

2012 ◽  
Vol 2012 ◽  
pp. 1-6
Author(s):  
Ling-Ling Gao ◽  
Yan Liu ◽  
Xu-Yan Lv ◽  
Jian-Feng Liu ◽  
Tuo-Ping Hu
Keyword(s):  
Metal Ion ◽  
Supramolecular Complex ◽  
Supramolecular Complexes ◽  
Water Molecules ◽  
Monoclinic Crystal System ◽  
X Ray Diffraction ◽  
Monoclinic Crystal ◽  
X Ray ◽  
Distorted Octahedral ◽  
Octahedral Configuration

Templated coordination polymers [Ni(H2O)4(bipy)](BTA)0.5·H2O (1) and [Co(H2O)4(bipy)](BTA)0.5·H2O (2) (bipy = 4,4′-Bipyridine, H4BTA = 1,2,4,5-Benzenetetracarboxylic Acid) were synthesized and characterized by single-crystal X-ray diffraction, powder diffraction, elemental analysis, IR, and thermogravimetric analysis. Both of complexes 1 and 2 are monoclinic crystal system, C2/c space group, and isostructural. The unit of the structure, the metal ion is coordinated by four water molecules and two bipy molecules, is a slightly distorted octahedral configuration, and the carboxyl group from BTA4- ion doesn't coordinate with the metal ion, the H-bonding interactions further connect the mononuclear molecules to generate a 3D supramolecular complex.

Synthesis and Structural Characterization of N,N´- Dipropyl-N,N,N´,N´-tetramethyl-1,2- ethylenediammonium Dichloride and Dibromide

2011 ◽  
Vol 66 (7) ◽  
pp. 755-758
Author(s):  
Sari M. Närhi ◽  
Janne Asikkala ◽  
Jatta Kostamo ◽  
Marja K. Lajunen ◽  
Raija Oilunkaniemi ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecules ◽  
Monoclinic Crystal System ◽  
X Ray Diffraction ◽  
Monoclinic Crystal ◽  
Triclinic Crystal System ◽  
Space Group ◽  
X Ray ◽  
Crystal System

N,N´-Dipropyl-N,N,N´ ,N´-tetramethyl-1,2-ethylenediammonium dichloride (1) and dibromide (2) were prepared by the reaction of N,N,N´,N´-tetramethyl-1,2-ethylenediamine and the corresponding 1-halopropane. The structures of the compounds were characterized by single-crystal X-ray diffraction. 1 · 2H2O crystallizes in the triclinic crystal system, space group P1, with Z = 1, and 2 in the monoclinic crystal system, space group P21/c, with Z = 2. The crystal structures of the salts consist of discrete dications and halide anions. The packing in 1 · 2H2O consists of layers of cations with the chloride anions and water molecules forming hydrogen-bonded chains between the cation layers. In 2, the strongest H· · ·Br hydrogen bonds of 2.8138(6) and 2.8187(7) °A link the cations and anions into doublestranded chains. In both salts, cations and anions are also linked together by a further weak C-H· · ·Cl/Br hydrogen bonding network.

Synthesis, IR and X-Ray Studies of Tetra(N,N′-tetraethyl-N″-benzoyl- phosphorictriamide)-tetra(μ-3-methoxo)-tetra(methanol)tetra-NickeI(II)

1998 ◽  
Vol 53 (8) ◽  
pp. 836-840 ◽  
Author(s):  
Vladimir A. Ovchynnikov ◽  
Vladimir M. Amirkhanov ◽  
Anatoliy A. Kapshuk ◽  
Tatyana Yu. Sliva ◽  
Tadeusz Glowiak ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Oxygen Atom ◽  
Metal Ion ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Methoxy Groups ◽  
Oxygen Atoms

Abstract A new nickel(II) complex with N,N′-tetraethyl-N″-benzoylphosphortriamide (HL = C6H5C(O)N(H)P(O)(NEt2)2) of composition Ni4L4(OCH3)4·(HOCH3)4 (1) has been synthe­ sized. The crystal and molecular structure of 1 has been determined from the X-Ray diffraction data (tetragonal, space group P4̄21c with a = 17.000(2) Å, c = 15.338(3) Å, Z = 2; R = 0.0399 for 1412 unique reflections). The structure is made up of cubane-like tetramers. In the corners of a cube there are 4 atoms of nickel and 4 atoms of oxygen of methoxy groups. The nickel atoms are characterized by a slightly distorted octahedral environment, which consists of three oxygen atoms of methoxy groups, carbonylic and phosphorylic oxygen atoms of the ligand L-, and an oxygen atom of a methanol molecule. The ligands L- coordinate to the metal ion forming a chelate via the oxygen atoms of carbonylic and phosphorylic groups.

scholarly journals Synthesis, Characterization, and Crystal Structure of Negundoside (2′-p-Hydroxybenzoyl Mussaenosidic Acid)

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Suresh Sharma ◽  
B. D. Gupta ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Direct Method ◽  
Monoclinic Crystal System ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic Crystal ◽  
Full Matrix ◽  
X Ray ◽  
Cell Parameters

The structure of title compound Negundoside (2′-p-hydroxybenzoyl mussaenosidic acid) was established by spectral and X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with space group P21 having unit cell parameters: a=11.6201 (5) Å, b=9.2500 (4) Å, c=12.2516 (5) Å, β=97.793 (4)°, and Z=2. The crystal structure was solved by direct method using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R value of 0.0520 for 3389 observed reflections.

scholarly journals Preparation and Structures of Ternary Copper(II) Complexes of ADP and ATP Models for Enzyme-Metal Ion-Nucleoside Polyphosphate Complexes

1982 ◽  
Vol 37 (7) ◽  
pp. 863-871 ◽  
Author(s):  
William S. Sheldrick
Keyword(s):  
Metal Ion ◽  
Basic Structure ◽  
Axial Position ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
Bidentate Coordination ◽  
X Ray ◽  
Ph Values ◽  
Distorted Octahedral ◽  
The Third Terminal

AbstractThe stable ternary copper(II) complexes of ATP and ADP, [Cu(H2ATP)(phen)]2 · 7 H2O (2) and [Cu4(HADP)2(bipy)4(H2O)2(NO3)2] · 2 NO3 (3), have been isolated from aqueous solution at respective pH values of 2.8 and 4.0. Their structures have been established by single crystal X-ray diffraction. Tridentate coordination of each of the Cu atoms by ono α-, one β- and one γ-phosphate O atom of one ATP molecule is observed in 2. The binding Oα atoms occupy axial positions in a distorted octahedral geometry at Cu and the Cu- Oα interactions are weak. The other axial position is occupied by a γ-phosphate O atom of the second ATP molecule, leading to a dimeric structure. The basic structure of 3 is similar with, in this case, bidentate coordination of each of the central Cu atoms by one α- and one β-phosphate O atom of ono ADP molecule. In this case, however, the third terminal β-phosphate O atoms each bind a further Cu atom. All four Cu atoms in 3 display square pyramidal coordination. The structures of 2 and 3 are stabilised by intramolecular stacking of adenine and phenanthroline/bipyridyl systems. The significance of these structures as models for enzyme-metal ion-nucleoside polyphosphate complexes is discussed.

scholarly journals An infinite two-dimensional hybrid water–chloride network in a 4′-(furan-2-yl)-2,2′:6′,2′′-terpyridine nickel(II) matrix

2017 ◽  
Vol 73 (6) ◽  
pp. 871-875 ◽  
Author(s):  
Wei-Wei Fu ◽  
Ya-Qian Li ◽  
Yang Liu ◽  
Man-Sheng Chen ◽  
Wei Li ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Chloride Ions ◽  
Water Molecules ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Coordination Environment ◽  
X Ray ◽  
Solvent Water ◽  
Distorted Octahedral ◽  
Shaped Pattern

A new complex, namely bis[4′-(furan-2-yl)-2,2′:6′,2′′-terpyridine]nickel(II) dichloride decahydrate, [Ni(C19H13N3O)2]Cl2·10H2O, has been crystallized by solvent evaporation and characterized by single-crystal X-ray diffraction. The coordination environment of the NiIIcation is distorted octahedral with slight deviations from an idealized geometry. The most intriguing structural feature is an infinite two-dimensional hybrid water–chloride network parallel to (011) constructed by O—H...O and O—H...Cl hydrogen bonds involving two independent chloride ions and ten independent solvent water molecules with an L-shaped pattern. One of the furyl rings is disordered with a refined occupancy ratio of 0.786 (13):0.214 (13)

scholarly journals Synthesis, Characterization, Crystallographic Studies of 5-Acetyl-8-hydroxyquinoline and Their Chalcone Derivatives

2020 ◽  
Vol 32 (7) ◽  
pp. 1609-1613
Author(s):  
C.B. Vagish ◽  
Karthik Kumara ◽  
N.K. Lokanath ◽  
K. Ajay Kumar ◽  
P.G. Chandrasherkar
Keyword(s):  
Single Crystal ◽  
Benzoyl Chloride ◽  
Condensation Reaction ◽  
Aromatic Aldehydes ◽  
Spectral Studies ◽  
Monoclinic Crystal System ◽  
X Ray Diffraction ◽  
Monoclinic Crystal ◽  
One Pot ◽  
X Ray

An efficient, easy and one pot synthesis for the Friedel-Craft acetylation reaction of quinolines was developed. The reaction between 8-hydroxyquinoline and acetyl/benzoyl chloride in nitrobenzene immediately flocculates as yellow precipitate. On further addition of Lewis acid causes the Friedel-Craft acetylation leads to formation of acetylated quionlines in good yields. The structure of compound 5-acetyl-8-hydroxyquinoline (3) was confirmed by single crystal X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with the space group P21/c. The synthesized acetylated quionlines undergoes condensation reaction with aromatic aldehydes leads to 8-hydroxyquinoline chalcones derivatives. The products were characterized by spectral studies, elemental analysis and single crystal X-ray diffraction studies.

Study on Crystal Structure and Thermal Stability of Hexaaquanickel (II) Bis[4-amino-3-methyl-benzenesulfonate]

2013 ◽  
Vol 643 ◽  
pp. 64-67
Author(s):  
Li Hua Wang
Keyword(s):  
Self Assembly ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Coordinated Water ◽  
Light Green ◽  
Thermal Stability Of

Light green crystals of the Ni (II) complex material, [Ni(H2O)6](C14H16N2O6S2), were obtained by the self-assembly of Ni(H2O)6·6H2O, 4-amino-3-methyl-benzenesulfonic acid and NaOH. The result of X-ray diffraction shows that each Ni (II) atom is six-coordinated in a distorted octahedral environment by six oxygen atoms from the water molecules. The complex molecules are connected by hydrogen bonds to form two dimensional network structure. The thermal analysis shows that the complex has a enothermic peak at 302 C, indicating that coordinated water molecules are in the complex.

A Novel Hydrogen-bonded Zigzag Chain Manganese(III) Complex: Synthesis, Crystal Structure and Magnetic Properties

2007 ◽  
Vol 62 (5) ◽  
pp. 691-695 ◽  
Author(s):  
Hulya Kara
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Axial Direction ◽  
Water Molecules ◽  
Zigzag Chain ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Octahedral ◽  
Coordinated Water ◽  
Donor Power

AbstractThe synthesis, crystal structure and magnetic properties of [Mn(III)L(H2O)2]+ClO4 −, 1 [L = N,N′-bis(rac-3,5-dichlorosalicylidenato)-1,2-diaminopropane] are reported. Single crystal X-ray diffraction studies showed the structure to consist of [MnL(H2O)2]+ octahedra, with trans-coordinated water molecules, which are linked into infinite helices by hydrogen bonds. The distorted octahedral manganese(III) centre contains an N2O2O′2 coordination sphere made up of the Schiff base ligand in the equatorial plane. In the axial direction, an elongation of the trans Mn-Owater bonds to 2.165(2) and 2.187(2) Å is observed. Such elongations are typical of d4 systems but in this case may also be attributed to the poorer donor power of the water molecules.

scholarly journals Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data

2017 ◽  
Vol 73 (1) ◽  
pp. 72-75 ◽  
Author(s):  
Dohyun Moon ◽  
Masahiro Takase ◽  
Takashiro Akitsu ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Complex Salt ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
Rotation Symmetry ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the complex salt,cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+cation, one half of a Cr2O72−anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIIIion is coordinated by the four cyclam N atoms and by two N atoms ofcis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72−anion and water molecules as acceptor groups, giving rise to a three-dimensional network.

scholarly journals Synthesis and characterization of the Anderson–Evans tungstoantimonate [Na5(H2O)18{(HOCH2)2CHNH3}2][SbW6O24]

2021 ◽  
Vol 77 (7) ◽  
Author(s):  
Kleanthi Sifaki ◽  
Nadiia I. Gumerova ◽  
Gerald Giester ◽  
Annette Rompel
Keyword(s):  
Critical Role ◽  
Three Dimensional ◽  
Water Molecules ◽  
Vibrational Modes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Buffering Agent

A novel tungstoantimonate, [Na5(H2O)18{(HOCH2)2CHNH3}2][SbVWVI 6O24] (SbW6 ), was synthesized from an aqueous solution and structurally characterized by single-crystal X-ray diffraction, which revealed C2/c symmetry. The structure contains two serinol [(HOCH2)2CHNH3]+ and five Na+ cations, which are octahedrally surrounded by 18 water molecules, and one [SbVWVI 6O24]7− anion. The serinol molecules also play a critical role in the synthesis by acting as a mild buffering agent. Each of the WVI and SbV ions is six-coordinated and displays a distorted octahedral motif. A three-dimensional supramolecular framework is formed via hydrogen-bonding interactions between the tungstoantimonates and cations. Powder X-ray diffraction, elemental analysis, thermogravimetric analysis and IR spectroscopy were performed on SbW6 to prove the purity, to identify the water content and to characterize the vibrational modes of the crystallized phase.

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