scholarly journals Synthesis, characterization and crystal structure of a novel tetranuclear Co(II) cubane cluster

2019 ◽  
Vol 10 (3) ◽  
pp. 256-262
Author(s):  
Hong Chen ◽  
Jianchun Wu ◽  
Mingguo Liu
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Structural Motif ◽  
Single Crystal Diffraction ◽  
Triclinic Space Group ◽  
Hydrogen Bonding Interactions ◽  
Elementary Analysis ◽  
Dimensional Network ◽  
Ft Ir ◽  
Cubane Cluster

A new tetranuclear Co(II) cubane cluster 1, [Co4(L1)4(L2)4]·4CH3CH2OH (HL1 = 2-Methylquinolin-8-ol, HL2 = t-Bu-COOH), has been synthesized and characterized by X-ray single crystal diffraction, FT-IR, TG/DSC, and elementary analysis. The data reveals that it has a very interesting structural motif consisting of a [Co4O4] core in the form of a cube with the Co and O occupying opposite corners. In the crystal structure of complex 1, the molecules are linked by intramolecular C−H···O hydrogen bonding interactions and Van der Waals forces, forming a three-dimensional network structure. Crystal data for complex 1: C60H68Co4N4O12, triclinic, space group P-1 (no. 2), with a = 12.0644(4), b = 12.0996(3), c = 20.2858(7) Å, α = 92.005(3)o, β = 92.182(3)°, γ = 97.943(3)°, Z = 2, V = 2928.25(16) Å3, T = 293 K, μ(MoKα) = 1.178 mm-1, Dcalc = 1.444 g/cm3, 16737 reflections measured (3.00° ≤ θ ≤ 28.53°), 9010 unique (Rint = 0.024, Rsigma = 0.0574) which were used in all calculations. The final R1 was 0.039 (I≥2σ(I)) and wR2 was 0.090 (all data).

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.

Two novel organic–inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium

2015 ◽  
Vol 71 (1) ◽  
pp. 48-52 ◽  
Author(s):  
José J. Campos-Gaxiola ◽  
Susana P. Arredondo Rea ◽  
Ramón Corral Higuera ◽  
Herbert Höpfl ◽  
Adriana Cruz Enríquez
Keyword(s):  
Three Dimensional ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Pyridinium Cation ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Two organic–inorganic hybrid compounds have been prepared by the combination of the 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium cation with perhalometallate anions to give 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II), (C12H12N2)[CoCl4], (I), and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridozincate(II), (C12H12N2)[ZnCl4], (II). The compounds have been structurally characterized by single-crystal X-ray diffraction analysis, showing the formation of a three-dimensional network throughX—H...ClnM−(X= C, N+;n= 1, 2;M= CoII, ZnII) hydrogen-bonding interactions and π–π stacking interactions. The title compounds were also characterized by FT–IR spectroscopy and thermogravimetric analysis (TGA).

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.

Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m761-m763 ◽  
Author(s):  
Yan Jiao ◽  
Zhao-Rui Pan ◽  
Zhi-Jie Fang ◽  
Yi-Zhi Li ◽  
He-Gen Zheng
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Acetate Ligand ◽  
Dimensional Network

In the crystal structure of the title compound, [Ni(C6H4N2O4S)(H2O)3]·2.5H2O, the NiII atom is six-coordinated by one 2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetate ligand and three water molecules. Hydrogen-bonding interactions between the coordinated and uncoordinated water molecules and between the water molecules and the organic ligand result in a three-dimensional network structure.

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

scholarly journals Crystal structure of an unknown tetrahydrofuran solvate of tetrakis(μ3-cyanato-κ3N:N:N)tetrakis[(triphenylphosphane-κP)silver(I)]

2015 ◽  
Vol 71 (10) ◽  
pp. 1262-1265
Author(s):  
Peter Frenzel ◽  
Dieter Schaarschmidt ◽  
Alexander Jakob ◽  
Heinrich Lang
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Acta Cryst ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Solvent Molecules ◽  
Set Up ◽  
The Given ◽  
Triphenylphosphine Ligand

In the title compound, [{[(C6H5)3P]Ag}4{NCO}4], a distorted Ag4N4-heterocubane core is set up by four AgIions being coordinated by the N atoms of the cyanato anions in aμ3-bridging mode. In addition, a triphenylphosphine ligand is datively bonded to each of the AgIions. Intramolecular Ag...Ag distances as short as 3.133 (9) Å suggest the presence of argentophilic (d10...d10) interactions. Five moderate-to-weak C—H...O hydrogen-bonding interactions are observed in the crystal structure, spanning a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure inPLATON[Spek (2015).Acta Cryst.C71, 9–18] following unsuccessful attempts to model it as being part of disordered tetrahydrofuran solvent molecules. The given chemical formula and other crystal data do not take into account these solvent molecules.

scholarly journals Crystal structure of bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-κ3N,N′,N′′}nickel(II) dichloride 3.5-hydrate

2014 ◽  
Vol 70 (9) ◽  
pp. m339-m340
Author(s):  
Benson M. Kariuki ◽  
Abdul-Razak H. Al-Sudani
Keyword(s):  
Crystal Structure ◽  
Metal Ion ◽  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Amine Ligands

In the title compound, [Ni(C13H17N3)2]Cl2·3.5H2O, the geometry of the NiN6complex cation is slightly distorted octahedral, with a facial arrangement of the two tridentateN-[2-(dimethylamino)ethyl]quinolin-8-amine ligands around the metal ion. The asymmetric unit consists of two independent complex half-molecules located on centres of inversion, together with two chloride counter-anions and 3.5 water molecules of solvation, one of which is disordered across an inversion centre. In the crystal, O—H...O, O—H...Cl and N—H...Cl hydrogen-bonding interactions form 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.

Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2H)-one derivatives as protein–tyrosine kinase (PTK) inhibitors

2017 ◽  
Vol 73 (11) ◽  
pp. 1003-1009 ◽  
Author(s):  
Ning Li ◽  
Binrong Yao ◽  
Chunhua Wang ◽  
Qingguo Meng ◽  
Guige Hou
Keyword(s):  
Crystal Structure ◽  
Tyrosine Kinases ◽  
Protein Tyrosine Kinase ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
X Ray Diffraction ◽  
Protein Tyrosine ◽  
Dimensional Network ◽  
Ft Ir ◽  
Structure And Activity

Four new 3,4-dihydro-1-benzoxepin-5(2H)-one derivatives, namely (E)-4-(5-bromo-2-hydroxybenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (7), (E)-4-[(E)-3-(5-bromo-2-hydroxyphenyl)allylidene]-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (8), (E)-4-(5-bromo-2-hydroxybenzylidene)-6-hydroxy-8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C18H15BrO5, (9), and (E)-4-[(E)-3-(5-bromo-2-hydroxyphenyl)allylidene]-6-hydroxy-8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (10), have been synthesized and characterized by FT–IR, NMR and MS. The structure of (9) was confirmed by single-crystal X-ray diffraction. Crystal structure analysis shows that molecules of (9) are connected into a one-dimensional chain in the [010] direction through classical hydrogen bonds and these chains are further extended into a three-dimensional network via C—H...O interactions. The inhibitory activities of these compounds against protein–tyrosine kinases (PTKs) show that 6-hydroxy-substituted compounds (9) and (10) are more effective for inhibiting ErbB1 and ErbB2 than are 6-methoxy-substituted compounds (7) and (8). This may be because (9) and (10) could effectively bind to the active pockets of the protein through intermolecular interactions.

Synthese, Kristallstruktur und Eigenschaften von 1,1,3,3,3-Pentaamino-1-oxo- 1λ5 ,3λ5-diphosphaz-2-en, (NH2)2(O)P-N=P(NH2)3 / Synthesis, Crystal Structure, and Properties of 1,1,3,3,3-Pentaamino-1-oxo-1λ5, 3λ5-diphosphaz-2-ene, (NH2)2(O)P-N=P(NH2)3

1996 ◽  
Vol 51 (8) ◽  
pp. 1079-1083 ◽  
Author(s):  
N. Stock ◽  
W. Schnick
Keyword(s):  
Crystal Structure ◽  
Thermal Properties ◽  
Room Temperature ◽  
Three Dimensional ◽  
Intermolecular Hydrogen Bonding ◽  
Structure And Properties ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Ray Methods

Coarse crystalline (NH2)2(O)P-N=P(NH2)3 is obtained from a NH3 saturated CH2Cl2 suspension of (NH2)2(O)P-N=P(NH2)3 NH4Cl at room temperature. (NH2)2(O)P-N=P(NH2)3·NH4Cl is synthesized by slow addition of Cl2(O)P-N=PCl3 to a solution of NH3 in CH2Cl2 at -78 °C. Excess NH4Cl is removed by treatment with HNEt2 followed by extraction with CH2Cl2. The crystal structure of (NH2)2(O)P-N=P(NH2)3 has been determined by single crystal X-ray methods (P21/c; a = 1462.8(3), b = 944.8(2), c = 1026.9(2) pm, β = 110.69(3)°; Z = 8). In the unit cell there are two crystallographically unique molecules. They form a three dimensional network by intermolecular hydrogen bonding interactions (N-H···N ≥ 313 pm. N-H···O ≥ 293 pm). The investigation of the thermal properties shows decomposition with evolution of NH3 above 80 °C.

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