scholarly journals Crystal structure and spectral characterization of dimethylthallium (III) complexes with 2-mercaptonicotinic acid and esters

2004 ◽  
Vol 2 (3) ◽  
pp. 534-552 ◽  
Author(s):  
Monica Toma ◽  
Agustín Sánchez ◽  
María García-Tasende ◽  
José Casas ◽  
José Sordo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Weak Interactions ◽  
Three Dimensional ◽  
Bidentate Ligand ◽  
Molecular Structures ◽  
Polymeric Chain ◽  
X Ray Diffraction ◽  
Methyl Nicotinate ◽  
Dimensional Network ◽  
Distorted Octahedral

AbstractSynthesis, spectral properties and crystal structure of dimethylthallium(III) complexes with 2-mercaptonicotinic acid (2mna), 2-mercapto-methyl-nicotinate (2mmn), 2-mercapto-ethyl-nicotinate (2men) and 2-mercapto-isopropyl-nicotinate (2min) are reported. The compounds were characterized using IR, multinuclear NMR (1H,13C,205Tl) and mass spectrometry (electrospray, ES-API). The molecular structures of [TlMe2(2mna)]·H2O, (1), [TlMe2(2mmn)], (2), [TlMe2(2men)], (3) and [TlMe2(2min)], (4) were determined by the single-crystal X-ray diffraction. In 1, the monodeprotonate O,S-bidentate ligand chelates one dimethylthallium (III) unit and simultaneously bridges (O and S) between two of these organometallic units. The Tl-O1′ and Tl-S″ interactions are leading to polymeric chain linked in a three-dimensional network by the hydrogen bonds formed between the water molecule and the oxygen O (2) atom of the acid. The thallium atom is in a distorted octahedral environment with a [TlC2O2S2] kernel. Compounds 2, 3 and 4 are similar, in all the cases already mentioned the ligand is NH deprotonated and is strongly coordinated to two dimethylthallium (III) units through the N and S atoms. Two additional weak interactions with the O and S atoms lead to a [TlC2NOS2] kernel for the metal atom, in which the coordination polyhedron is a very distorted octahedron with the methyl groups occupying the apical positions.

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.

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.

Crystal and Molecular Structure of 3-Iodo-2-propynyl-N-butylcarbamate

1997 ◽  
Vol 52 (2) ◽  
pp. 256-258 ◽  
Author(s):  
Evgeni V. Avtomonov ◽  
Rainer Grüning ◽  
Jörg Lorberth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Carbamate Group ◽  
Oxygen Atoms

Abstract The crystal structure of the title compound has been determined by X-ray diffraction methods. Due to the Lewis acidic character of the iodine substituent a “zig-zag” chain is formed via intermolecular interactions (2.933(4) A) between iodine and oxygen atoms of theocarbamate moiety. A three-dimensional network is formed through hydrogen-bridging (2.04 A) between NH-groups and the oxygen atoms of the neighbouring carbamate group of the next molecule.

scholarly journals Crystal structure of bromido-fac-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N,N′]rhenium(I)

2014 ◽  
Vol 70 (12) ◽  
pp. 587-589 ◽  
Author(s):  
Kseniia Piletska ◽  
Konstantin V. Domasevitch ◽  
Alexander V. Shtemenko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Triazole Ligand ◽  
Additional Stabilization ◽  
Centrosymmetric Dimers

In the title compound, [ReBr(C13H10N4)(CO)3], the ReIatom has a distorted octahedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in afacconfiguration around the ReIatom. Mutual N—H...Br hydrogen bonds arrange molecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H...O and C—H...Br hydrogen bonds, as well as by slipped π–π stacking interactions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.

scholarly journals Crystal structure of 4-(dimethylamino)pyridiniumcis-diaquabis(oxalato-κ2O,O′)ferrate(III) hemihydrate

2015 ◽  
Vol 71 (8) ◽  
pp. 934-936 ◽  
Author(s):  
Edith Dimitri Djomo ◽  
Frédéric Capet ◽  
Justin Nenwa ◽  
Michel M. Bélombé ◽  
Michel Foulon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Ionic Components ◽  
Distorted Octahedral Coordination Environment

The FeIIIions in the hybrid title salt, (C7H11N2)[Fe(C2O4)2(H2O)2]·0.5H2O, show a distorted octahedral coordination environment, with four O atoms from two chelating oxalate dianions and two O atoms from twocisaqua ligands. The average Fe—O(oxalate) bond length [2.00 (2) Å] is shorter than the average Fe—O(water) bond length [2.027 (19) Å]. The ionic components are connectedviaintermolecular N—H...O and O—H...O hydrogen bonds into a three-dimensional network.

scholarly journals Synthesis and Crystal Structure of the New Telluric Acid Adduct (RbCl)3·Te(OH)6

2012 ◽  
Vol 67 (1) ◽  
pp. 1-4
Author(s):  
Dirk Mahlmeister ◽  
Elisabeth Irran
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Tellurium Atom ◽  
Synthesis And Crystal Structure ◽  
Dimensional Network ◽  
Tricapped Trigonal Prism ◽  
Acid Adduct ◽  
Oxygen Atoms

The new telluric acid adduct (RbCl)3 ・ Te(OH)6 was prepared by dissolving RbCl and Te(OH)6 in the molar ratio of 3 : 1 in deionized water at r. t. and slow evaporation of the solvent in air. The crystal structure of the colorless crystals was determined with single-crystal X-ray diffraction (trigonal space group: R3̄c (no. 167), a = 14.4392(8), c = 10.4301(16) Å , Z = 6). In (RbCl)3 ・ Te(OH)6, the rubidium atom is surrounded by five chlorine and four oxygen atoms in form of an irregular tricapped trigonal prism. Each tellurium atom is octahedrally surrounded by six oxygen atoms. The Te(OH)6 octahedra and the RbCl5O4 polyhedra are linked to a dense three-dimensional network which is additionally strengthened by hydrogen bonds.

scholarly journals Crystal structure offac-trichlorido[tris(pyridin-2-yl-N)amine]chromium(III)

2015 ◽  
Vol 71 (1) ◽  
pp. 73-75 ◽  
Author(s):  
Yukiko Yamaguchi-Terasaki ◽  
Takashi Fujihara ◽  
Akira Nagasawa ◽  
Sumio Kaizaki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Neutral Complex ◽  
Distorted Octahedral Coordination ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

In the neutral complex molecule of the title compound,fac-[CrCl3(tpa)] [tpa is tris(pyridin-2-yl)amine; C15H12N4], the CrIIIion is bonded to three N atoms that are constrained to afacialarrangement by the tpa ligand and by three chloride ligands, leading to a distorted octahedral coordination sphere. The average Cr—N and Cr—Cl bond lengths are 2.086 (5) and 2.296 (4) Å, respectively. The complex molecule is located on a mirror plane. In the crystal, a combination of C—H...N and C—H...Cl hydrogen-bonding interactions connect the molecules into a three-dimensional network.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ido)magnesium

2015 ◽  
Vol 71 (3) ◽  
pp. 321-323 ◽  
Author(s):  
Yabin Shi ◽  
Benyong Lou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Title Complex ◽  
Complex Molecules ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Graph Set

The title complex, [Mg(C7H7N4O2)2(H2O)4], lies across an inversion centre and the MgIIatom is coordinated in a slightly distorted octahedral environment by four aqua ligands in the equatorial sites and two 1,3-dimethyl-2,6-dioxo-3,7-dihydro-1H-purin-9-ide ligands, through imidazole ring N atoms, in the axial sites. An intramolecular O—H...O hydrogen bond forms anS(7) graph-set motif. In the crystal, O—H...O and O—H...N hydrogen bonds link complex molecules forming a three-dimensional network incorporatingR42(8) andR22(18) graph-set motifs.

scholarly journals Crystal structure and Hirshfeld analysis of trans-bis(5-fluoroindoline-2,3-dione 3-oximato-κ2 O 2,N 3)-trans-bis(pyridine-κN)copper(II)

2018 ◽  
Vol 74 (4) ◽  
pp. 428-432
Author(s):  
Ana Paula Lopes de Melo ◽  
Leandro Bresolin ◽  
Bianca Barreto Martins ◽  
Vanessa Carratu Gervini ◽  
Adriano Bof de Oliveira
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Molar Ratio ◽  
Pyridine Ligands ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Hirshfeld Analysis ◽  
Isatin Derivatives

The reaction in methanol of CuII acetate monohydrate with 5-fluoroisatin 3-oxime deprotonated with KOH in a 1:2 molar ratio and recrystallization from pyridine yielded the title compound, [Cu(C8H4FN2O2)2(C5H5N)2]. In the centrosymmetric complex, the anionic form of the isatin oxime acts as a κ2 N,O donor, building five-membered metallarings. The CuII cation is sixfold coordinated in a slightly distorted octahedral environment by two trans, equatorial, anionic isatin derivatives and two trans pyridine ligands in axial positions. The complexes are linked by hydrogen bonding into a three-dimensional network, which is also stabilized by π–π stacking interactions [centroid-to-centroid distance = 3.7352 (9) Å] and C—H...π contacts. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H...H (31.80%), H...C (24.30%), H...O (15.20%) and H...F (10.80%). This work is the second report in the literature of a crystal structure of a coordination compound with isatin 3-oxime ligands (coordination chemistry).

Crystal structure and photophysical properties of a novel polyoxomolybdate porphyrin

2020 ◽  
Vol 76 (12) ◽  
pp. 1062-1067
Author(s):  
Wen-Tong Chen
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Reaction ◽  
Photophysical Properties ◽  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Covalent Bonds ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Counter Cation

A novel polyoxomolybdate with a diprotonated porphyrin as counter-cation, namely, 5,10,15,20-tetrakis(4-carboxyphenyl)-21H,22H,23H,24H-porphine(2+) hexamolybdate(VI) pentahydrate, (C48H32N4O8)[Mo6O19]·5H2O or (H2TCPP)[Mo6O19]·5H2O, I, was prepared via the hydrothermal reaction of MoCl5, 5,10,15,20-tetrakis(4-carboxyphenyl)-21H,23H-porphine (TCPP) and distilled water. The crystal structure of hydrated polyoxometalate (POM) salt I was characterized by single-crystal X-ray diffraction. The compound is characterized by an isolated (zero-dimensional, 0D) structure, because it cannot extend via covalent bonds. The structure contains one [Mo6O19]2− anion, one (H2TCPP)2+ cation and five lattice water molecules. Each of the Mo6+ ions is six-coordinated and displays a distorted octahedral motif. The (H2TCPP)2+ cation displays a distorted saddle motif. A three-dimensional (3D) supramolecular framework is formed via hydrogen-bonding interactions. The compound shows a red photoluminescence emission.

Sign in / Sign up

Export Citation Format

Share Document