Crystal structure, shape analysis and bioactivity of new LiI, NaI and MgII complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid

2019 ◽  
Vol 75 (3) ◽  
pp. 294-303 ◽  
Author(s):  
Syed Raza Shah ◽  
Zarbad Shah ◽  
Najeeb Ullah ◽  
Javid Hussain ◽  
Rashid Al-Harrasi ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Chain Structure ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Dimensional Chain ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
One Dimensional

Reactions of 1,10-phenanthroline (phen) and 2-(3,4-dichlorophenyl)acetic acid (dcaH) with Mn (CO3) (M = LiI, NaI and MgII; n = 1 and 2) in MeOH yield the mononuclear lithium complex aqua[2-(3,4-dichlorophenyl)acetato-κO](1,10-phenanthroline-κ2 N,N′)lithium(I), [Li(C8H5Cl2O2)(C12H8N2)(H2O)] or [Li(dca)(phen)(H2O)] (1), the dinuclear sodium complex di-μ-aqua-bis{[2-(3,4-dichlorophenyl)acetato-κO](1,10-phenanthroline-κ2 N,N′)sodium(I)}, [Na2(C8H5Cl2O2)2(C12H8N2)2(H2O)2] or [Na2(dca)2(phen)2(H2O)2] (2), and the one-dimensional chain magnesium complex catena-poly[[[diaqua(1,10-phenanthroline-κ2 N,N′)magnesium]-μ-2-(3,4-dichlorophenyl)acetato-κ2 O:O′] 2-(3,4-dichlorophenyl)acetate monohydrate], {[Mg(C8H5Cl2O2)(C12H8N2)(H2O)2](C8H5Cl2O2)·H2O} n or {[Mg(dca)(phen)(H2O)2](dca)·H2O} n (3). In these complexes, phen binds via an N,N′-chelate pocket, while the deprotonated dca− ligands coordinate either in a monodentate (in 1 and 2) or bidentate (in 3) fashion. The remaining coordination sites around the metal ions are occupied by water molecules in all three complexes. Complex 1 crystallizes in the triclinic space group P\overline{1} with one molecule in the asymmetric unit. The Li+ ion adopts a four-coordinated distorted seesaw geometry comprising an [N2O2] donor set. Complex 2 crystallizes in the triclinic space group P\overline{1} with half a molecule in the asymmetric unit, in which the Na+ ion adopts a five-coordinated distorted spherical square-pyramidal geometry, with an [N2O3] donor set. Complex 3 crystallizes in the orthorhombic space group P212121, with one Mg2+ ion, one phen ligand, two dca− ligands and three water molecules in the asymmetric unit. Both dcaH ligands are deprotonated, however, one dca− anion is not coordinated, whereas the second dca− anion coordinates in a bidentate fashion bridging two Mg2+ ions, resulting in a one-dimensional chain structure for 3. The Mg2+ ion adopts a distorted octahedral geometry, with an [N2O4] donor set. Complexes 1–3 were evaluated against urease and α-glucosidase enzymes for their inhibition potential and were found to be inactive.

scholarly journals Poly[[tetra-μ-cyanido-κ8C:N-dodeca-cyanido-κ12C-tris(N,N-dimethylformamide-κO)tris(methanol-κO)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)trimanganese(II)ditungstate(V)] dihydrate]

2014 ◽  
Vol 70 (5) ◽  
pp. m170-m171
Author(s):  
Fei-Lin Yang ◽  
Dan Yang
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Chain Structure ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Distorted Octahedral

The asymmetric unit of the title compound, {[Mn3{W(CN)8}2(C16H16N2)3(C3H7NO)3(CH3OH)3]·2H2O}n, consists of three [Mn(N,N-dimethylformamide)(methanol)(3,4,7,8-tetramethyl-1,10-phenanthroline)]2+cations, two [W(CN)8]3−anions and two water molecules. Each water molecule is disordered over three sets of sites, with a refined occupancy ratio of 0.310 (9):0.275 (9):0.415 (9) for one molecule and 0.335 (9):0.288 (9):0.377 (9) for the other molecule. The MnIIatoms exhibit a distorted octahedral geometry, while the WVatoms adopt a distorted square-antiprismatic geometry. The MnIIand WVatoms are linked alternatively through cyanide groups, forming a tetranuclear 12-atom rhombic metallacycle. Adjacent metallacycles are further connected by μ2-bridging cyanide anions, generating a 3,2-chain structure running parallel to [101]. Interchain π–π interactions are observed [centroid–centroid distances = 3.763 (3) and 3.620 (2) Å].

Crystal Structure of Na(I) Complex with 1,5-Naphthalenedisulfonate

2013 ◽  
Vol 830 ◽  
pp. 185-188
Author(s):  
Li Hua Wang ◽  
Zhi Xiang Ji
Keyword(s):  
Crystal Structure ◽  
Chain Structure ◽  
Water Molecules ◽  
Local Geometry ◽  
Dimensional Chain ◽  
Single Crystal Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

A new Na (I) complex, [Na (H2O)5(DMF)]·(L) (L=1,5-naphthalenedisulfonate) has been obtained in the CH3CH2OH and a little DMF solution. The complex was characterized by X-ray single crystal diffraction analysis. The results showed that the local geometry around central Na (I) ion can be described a distorted octahedral environment which connected by five water molecules and one DMF molecule. The complex formed one dimensional chain structure through intramolecule and intermolecule hydrogen bonds and π-π stacking.

catena-Poly[[(2,2′-bipyridyl-κ2 N,N′)manganese(II)]-di-μ-3,5-dinitrobenzoato-κ4 O:O′]

2007 ◽  
Vol 63 (3) ◽  
pp. m915-m917 ◽  
Author(s):  
Hong-Xu Guo ◽  
Jian-Xin Chen ◽  
Qing-Hua Wang ◽  
Xiu-Li You
Keyword(s):  
Coordination Polymer ◽  
Chain Structure ◽  
Dimensional Chain ◽  
Formula Unit ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Title One

The centrosymmetric formula unit of the title one-dimensional coordination polymer, [Mn(C7H3N2O6)2(C10H8N2)] n , which is twice the asymmetric unit, contains two MnII ions, four 3,5-dinitrobenzoate anions and two 2,2′-bipyridine ligands. The 3,5-dinitrobenzoate anions connect the MnII atoms through their O atoms, resulting in the formation of a one-dimensional chain structure.

Kristallstruktur des „supramolekularen“ Komplexes [K(Benzo-18-krone-6)][Zn(CN)3]*H2O mit einem polymeren kettenförmigen Tricyanozincat-Anion / Crystal Structure of the “Supramolecular” Complex [K(benzo-18-crown-6)][Zn(CN)3] •H2O with a Polymeric Tricyano Zincate Anion with Chain Structure

1999 ◽  
Vol 54 (6) ◽  
pp. 747-750 ◽  
Author(s):  
Joachim Pickardt ◽  
Pirka Wischlinski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chain Structure ◽  
Supramolecular Complex ◽  
Potassium Ion ◽  
Water Molecules ◽  
Cyanide Ion ◽  
Triclinic Space Group ◽  
Space Group ◽  
Coordination Spheres

Crystals o f the complex [K (benzo-18-crown-6][Zn(CN)3] H2O were obtained from a solution o f Zn(CN)2, KCN, and benzo-18-crown-6 in water/methanol. The compound crystallizes in the triclinic space group PI (no. 2),: Z = 2, a = 818,6(5), b = 1236,7(8), c = 1359,6(6) pm, a = 67,02(4), β = 87,38(4), 7 = 75,46(5). Each Zn atom is bonded to one bridging cyanide ion to give chains -Zn(CN)Zn -, and to two terminal CN groups. The N atom of one of the terminal CN groups interacts with a potassium ion o f the [K (benzo-18-crown-6)]+ unit. The coordination spheres of the K ions are completed by water molecules, which in turn form hydrogen bonds to N atoms of terminal CN groups of neighbouring chains, whereby puckered sheets are formed

Addukte von Alkalimetallhexacyanoferraten mit Hexamethylentetramin: Die Kristallstrukturen von Na3[Fe(CN)6] · 2C6H12N4 · 5H20 und K3[Fe(CN)6] · 2C6H12N4 · 4H2O

1988 ◽  
Vol 43 (9) ◽  
pp. 1161-1166 ◽  
Author(s):  
Hans-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Hydrogen Bonds ◽  
Aqueous Solutions ◽  
Single Crystals ◽  
Three Dimensions ◽  
Water Molecules ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
Sodium And Potassium ◽  
Coordination Water

Abstract By diffusion of methanolic solutions of hexamethylenetetramine into aqueous solutions of hexacyanoferrates(III) of sodium and potassium, resp., single crystals of the adducts were ob­tained. Na3[Fe(CN)6] · 2C6H12N4-5H2O, orthorhombic, space group Pca21. Z = 4, a = 14.122(4). b = 14.380(4), c = 14.381(4) Å, 3153 reflections, R = 0.044. K3[Fe(CN)6]•2C6H12N4-4H2O, triclinic, space group P1̄, Z = 4, a = 14.125(4), b = 17.808(4), c =14.116(4) Å, α = 114.14(5), β = 94.91(4), γ = 108.36(5)°. 5550 reflections, R = 0.042. Both structures may be regarded as Elpasolite-Iike arrangements of [Fe(CN)6]3- ions, C6H12N4 molecules and [M2(OH2)x]3+ units (M = Na, K; x = 5, 4), linked together unsymmetrically by M-N contacts of metal ions and nitrogen atoms with mean distances of Na-NHMT = 264 pm. Na-NCYan = 243 pm, K-NHMT = 293 pm and K-Ncyan = 290 pm. Stabilization of the crystal structures is obtained by N---H-O hydrogen bonds of coordination water molecules in three dimensions.

1,1′-Fc(4-C6H4CO2Et)2 and its unusual salt derivative with Z′ = 5, catena-[Na+]2[1,1′-Fc(4-C6H4CO2 −)2]·0.6H2O [1,1′-Fc = (η5-(C5H4)2Fe]

2010 ◽  
Vol 66 (2) ◽  
pp. 196-205 ◽  
Author(s):  
John F. Gallagher ◽  
Steven Alley ◽  
Marianne Brosnan ◽  
Alan J. Lough
Keyword(s):  
Complex Salt ◽  
Base Hydrolysis ◽  
Water Molecules ◽  
Central Layer ◽  
Asymmetric Unit ◽  
Compound I ◽  
Space Group ◽  
One Dimensional ◽  
Triclinic System ◽  
Salt Complex

The neutral diethyl 4,4′-(ferrocene-1,1′-diyl)dibenzoate, Fe[η5-(C5H4)(4-C6H4CO2Et)]2 (I), yields (II) (following base hydrolysis) as the unusual complex salt poly[disodium bis[diethyl 4,4′-(ferrocene-1,1′-diyl)dibenzoate] 0.6-hydrate] or [Na+]2[Fe{η5-(C5H4)-4-C6H4CO_2^-}2]·0.6H2O with Z′ = 5. Compound (I) crystallizes in the triclinic system, space group P\bar 1, with two molecules having similar geometry in the asymmetric unit (Z′ = 2). The salt complex (II) crystallizes in the orthorhombic system, space group Pbca, with the asymmetric unit comprising poly[decasodium pentakis[diethyl 4,4′-(ferrocene-1,1′-diyl)dibenzoate] trihydrate] or [Na+]10[Fe{η5-(C5H4)-4-C6H4CO_2^-}2]5·3H2O. The five independent 1,1′-Fc[(4-C6H4CO2)−]2 dianions stack in an offset ladder (stepped) arrangement with the ten benzoates mutually oriented cisoid towards and bonded to a central layer comprising the ten Na+ ions and three water molecules [1,1′-Fc = η5-(C5H4)2Fe]. The five dianions differ in the cisoid orientations of their pendant benzoate groups, with four having their —C6H4— groups mutually oriented at interplanar angles from 0.6 (3) to 3.2 (3)° (as π...π stacked C6 rings) and interacting principally with Na+ ions. The fifth dianion is distorted and opens up to an unprecedented —C6H4— interplanar angle of 18.6 (3)° through bending of the two 4-C6H4CO2 groups and with several ionic interactions involving the three water molecules (arranged as one-dimensional zigzag chains in the lattice). Overall packing comprises two-dimensional layers of Na+ cations coordinated mainly by the carboxylate O atoms, and one-dimensional water chains. The non-polar Fc(C6H4)2 groups are arranged perpendicular to the layers and mutually interlock through a series of efficient C—H...π stacking contacts in a herringbone fashion to produce an overall segregation of polar and non-polar entities.

Transition Metal Squarates I. Chain Structures M (C4O4) · 4 H2O

1986 ◽  
Vol 41 (1) ◽  
pp. 18-24 ◽  
Author(s):  
Armin Weiss ◽  
E. Riegler ◽  
I. Alt ◽  
H. Böhme ◽  
Ch. Robl
Keyword(s):  
Transition Metal ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Dimensional Chain ◽  
Chain Molecules ◽  
Space Group ◽  
One Dimensional ◽  
Oxygen Atoms

The transition metal squarates M(C4O4) · 4 H2O (M2+ = Mn2+, Fe2+, Co2+. Ni2+, and Zn2+) are isotypic. They crystallize monoclinically, space group Ce-Cf, and consist of one-dimensional chain molecules[xxx]with the chain axes alternatively in direction [110] and [110]. The transition metal is octahedrally coordinated by two oxygen atoms of two C4O42- -anions in rrarcs-position and 4 water molecules. Neighbouring chains are interlinked by hydrogen bonds. The distance between the planes of the parallel C4-rings of neighbouring chains is similar to the layer distance in graphite.

scholarly journals Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzo[d]imidazole)

2017 ◽  
Vol 73 (3) ◽  
pp. 423-428 ◽  
Author(s):  
Varsha Rani ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Polymeric Structure ◽  
Space Group ◽  
One Dimensional ◽  
Axis Direction ◽  
Helical Polymer ◽  
Butyl Group ◽  
Fourth Coordination ◽  
Benzimidazole Group

The mercury(II) complex of 2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazole), namelycatena-poly[[dihalogenidomercury(II)]-μ-2,2′-(5-tert-butyl-1,3-phenylene)bis(1-pentyl-1H-benzimidazole)-κ2N3:N3′], [HgBr1.52Cl0.48(C34H42N4)],2, has a polymeric structure bridgingviathe N atoms from the benzimidazole moieties of the ligand. The compound crystallizes in the orthorhombic space groupPca21and is a racemic twin [BASF = 0.402 (9)]. The geometry around the HgIIatom is distorted tetrahedral, with the HgIIatom coordinated to two N atoms, one Br atom, and a fourth coordination site is occupied by a mixed halide (Br/Cl). For the two ligands in the asymmetric unit, there is disorder with one of the twotert-butyl groups and benzimidazole moieties showing twofold disorder, with occupancy factors of 0.57 (2):0.43 (2) for thetert-butyl group and 0.73 (3):0.27 (3) for the benzimidazole group. In addition, there is threefold disorder for two of the fourn-pentyl groups, with occupancy factors of 0.669 (4):0.177 (4):0.154 (4) and 0.662 (4):0.224 (4):0.154 (4), respectively. The molecules form a one-dimensional helical polymer propagating in theb-axis direction. The helices are held together by intra-strand C—H...Br and C—H...Cl interactions. Each strand is further linked by inter-strand C—H...Br and C—H...Cl interactions. In addition, there are weak C—H...N inter-strand interactions which further stabilize the structural arrangement.

The Crystal Structures of [N,N’-Bis(3-methoxysalicylidene)-1,3- diaminopropane]nickel(II) and -copper(II)

2004 ◽  
Vol 59 (2) ◽  
pp. 228-232 ◽  
Author(s):  
Ayhan Elmali ◽  
Celal T Zeyrek ◽  
Yalcin Elerman
Keyword(s):  
Crystal Structures ◽  
Mirror Symmetry ◽  
Distorted Octahedral Geometry ◽  
Planar Geometry ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Bond Lengths ◽  
Distorted Octahedral

[N,N′’-Bis(3-methoxysalicylidene)-1,3-diaminopropane]nickel(II) dihydrate [Ni(C19H20N2O4)· 2(H2O)] 1 and [N,N′-bis(3-methoxysalicylidene)-1,4-diaminobutane]copper(II) [Cu(C20H22N2O4)] 2 have been synthesized and their crystal structures determined. Crystals of compound 1 are orthorhombic, space group Pnma, a = 7.509(3), b = 22.070(7), c = 11.532(4) Å, V = 1611.1(12) Å3, Z = 4 and Dc = 1.498 g·cm−3. The molecule 1 has mirror symmetry, but the ligand is not planar. The two parts of the Schiff base moieties are folded so as to form an angle of 21.6(1)°. The Ni atom is in a distorted octahedral geometry and coordinated by the donor atoms of the ligand in the horizontal plane and of two water molecules. Crystals of compound 2 are monoclinic, space group P21/c, a = 9.488(1), b = 21.918(3), c = 8.413(1) Å, β = 91.45(1)°, V = 1749.0(4) Å3, Z = 4 and Dc = 1.587 g·cm−3. The Cu atom is coordinated by an N2O2 donor set from the imine-phenol ligand in a distorted planar geometry, with the two phenolate O atoms deprotonated. The Cu-O bond lengths are 1.854(3) and 1.868(3)Å . The Cu-N bond lengths are 1.931(3) and 1.950(3) Å, the dihedral angle between the two 3-methoxysalicylidene groups is 43.4(1)°.

Crystal Structure Investigation of Copper(II) Thiocyanato and Cobalt(III Azido Complexes of Picolinic Acid; [Cu(pic)(SCN)(H2O)2] · 2H2O and [Na2Co(pic)2(N3)2(H2O)6] [Co(pic)2(N3)2] · 2H2O

1993 ◽  
Vol 48 (12) ◽  
pp. 1795-1800 ◽  
Author(s):  
Mohamed A. S. Goher ◽  
Morsy A. M. Abu-Youssef ◽  
Franz A. Mautner
Keyword(s):  
Picolinic Acid ◽  
Sodium Atom ◽  
Water Molecules ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray Crystallography ◽  
Lattice Water ◽  
Trigonal Bipyramidal ◽  
Bidentate Chelate

The structures of [Cu(pic)(NCS)(H2O)2] · 2H2O, complex 1, and[Na2Co(pic)2(N3)2(H2O)6][Co(pic)2(N3)2] · 2H2O, complex 2, were determined by X-ray crystallography. Crystal data: 1, C7H12CuSN2O6, orthorhombic, space group Pbca, a = 8.749(4), b = 10.786(5), c = 26.882(9) Å, Z = 8, Rw =0.046 for 826 observed diffractometer data; 2, C24H32Co2Na2N16O16, triclinic, space group P1̄, a = 7.297(3), b = 8.806(4), c = 15.820(7) Å, a = 105.31(3), β = 95.09(3), γ = 99.86(3)°, Z = 1, and Rw = 0.064 for 1680 observed MoKa data.Complex 1 features six-coordinated copper atoms, N,O-bidentate chelate picolinato anions, and μ(N,S) bridging thiocyanato groups with N at the basal site and S at the apical site of tetragonal bipyramid. The remaining two sites are occupied by aqua molecules, whereas two other water molecules serve as lattice water. The bridging thiocyanato groups link the copper polyhedra to form chains along the b axis of the unit cell. Complex 2 contains two Co(III) atoms located at different inversion centers. Co 1 in the [Na2Co(pic)2(N3)2(H2O)6]+ cation is six-coordinated by two trans picolinato anions (A) via their N 1 and O 1 atoms and by two terminal azido ligands. Two oxygen atoms (O 2 and O 2a) of two picolinate anions (A) act as μ(Ο,Ο) bridging atoms at basal sites to form a four-membered Na2O2 ring. Each sodium atom is further linked to three aqua ligands giving rise to trigonal-bipyramidal coordination environments. Two additional lattice water molecules are located between the dimeric sodium polyhedra. Co 2, in the [Co(pic)2(N3)2]- anion, is also six-coordinated by pairs of trans N,O-picolinate anions (B) and terminal azido groups.

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