scholarly journals Crystal structure of fac-bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylidene)propane-1,3-diide, [Fe(dipa)2](tcpd)

2018 ◽  
Vol 74 (9) ◽  
pp. 1227-1230 ◽  
Author(s):  
Zouaoui Setifi ◽  
Peter W. R. Corfield ◽  
Fatima Setifi ◽  
Bernd Morgenstern ◽  
Kaspar Hegetschweiler ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Unit Cell ◽  
Inversion Center ◽  
Anion Form ◽  
Alternating Chain

In the title compound, [Fe(C11H11N3)2](C10N6), the FeII cation is coordinated by two bis(pyridin-2-yl)methanamine (dipa) ligands and has crystallographic twofold symmetry. There are deviations from ideal octahedral geometry due to the steric requirements of the ligands. The polynitrile 1,1,3,3-tetracyano-2-(dicyanomethylidene)propane-1,3-diide (tcpd2−) dianion is disordered about an inversion center and is not coordinated to the Fe atom. The anion is not planar but has a propeller shape. In the crystal, weak N—H...N interactions between the amine H atoms of the dipa ligands and two nitrile groups of the anion form an alternating chain of cations and anions related by the C-centering of the unit cell.

scholarly journals Crystal structure of tetrakis(μ-n-butyrato-κ2O:O′)bis[chloridorhenium(III)](Re—Re)

2014 ◽  
Vol 70 (10) ◽  
pp. m349-m350 ◽  
Author(s):  
Michael P. Thomson ◽  
Natasha F. O'Rourke ◽  
Ruiyao Wang ◽  
Manuel A. S. Aquino
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Bond Angle ◽  
Octahedral Geometry ◽  
Unit Cell ◽  
Type Structure ◽  
Inversion Center ◽  
Bond Angles ◽  
Quadruple Bond

With an inversion center at the mid-point of the two ReIIIatoms, the title compound, [Re2Cl2{O2C(CH2)2CH3}4], exhibits a paddle-wheel or lantern-type structure with fourn-butyrate groups bridging two ReIIIatoms in asyn–synfashion. The axial chloride ligands together with the Re—Re quadruple bond [2.2330 (3) Å] complete an essentially octahedral geometry around each ReIIIatom. There is little distortion, with an Re—Re—Cl bond angle of 176.18 (3)° and typicalcis-O—Re—O bond angles ranging from 89.39 (11) to 90.68 (11)°. There are two molecules in the unit cell, and no significant intermolecular interactions were noticed between molecules in the crystal.

Hexaaquanickel(II) bis{[N-(2-hydroxybenzylidene)alanylglycinato]cuprate(II)} dodecahydrate

2006 ◽  
Vol 62 (7) ◽  
pp. m1508-m1509
Author(s):  
Bin Xu ◽  
Yan-Yan Zhang ◽  
Wen-Long Liu ◽  
Xiao-Ya Hu
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Solvent Water ◽  
Square Planar ◽  
Complex Anions

The crystal structure of the title compound, [Ni(H2O)6][Cu(C12H11N2O4)]2·12H2O, consists of CuII complex anions, NiII complex cations and solvent water molecules. The CuII ion is located on a general position and coordinated by a Schiff base ligand with a square-planar CuN2O2 geometry. The NiII ion is located on an inversion center and coordinated by six water molecules in an octahedral geometry.

scholarly journals Hexaaquacadmium(II) dipicrate monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m620-m620 ◽  
Author(s):  
S. Natarajan ◽  
K. Moovendaran ◽  
S. A. Martin Britto Dhas ◽  
J. Suresh ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Inversion Center

In the structure of the title compound, [Cd(H2O)6](C6H2N3O7)2·H2O, the CdIIion is located on an inversion center and is coordinated by six water molecules in an octahedral geometry. The picrate anions have no coordination interactions with the CdIIion. The three nitro groups are twisted away from the attached benzene ring, making dihedral angles of 17.89 (3), 27.94 (4) and 13.65 (3)°. There are numerous O—H...O hydrogen bonds in the crystal structure, involving coordinated and uncoordinated water molecules.

scholarly journals Bis(2,2′,2′′-nitrilotriacetamide-κ3O,N,O′)nickel(II) dinitrate tetrahydrate

2013 ◽  
Vol 69 (2) ◽  
pp. m89-m89 ◽  
Author(s):  
Xiao-Hui Deng ◽  
Qi-Jun Nie ◽  
Feng-Juan Zhu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Lattice Water ◽  
Distorted Octahedral ◽  
Nitrate Anions

In the title compound, [Ni(C6H12N4O3)2](NO3)2·4H2O, the NiIIcation is located on an inversion center and isN,O,O′-chelated by two nitrilotris(acetamide) molecules in a distorted octahedral geometry. The complex cations, nitrate anions and lattice water molecules are connected by O—H...O and N—H...O hydrogen bonds, forming a three-dimensional supramolecular structure.

Ethylenediammonium tetraaquabis(pyridine-3,5-dicarboxylato-κN)cuprate(II) dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. m1027-m1029 ◽  
Author(s):  
Alejandro Dorazco-Gonzalez ◽  
Ruben A. Toscano ◽  
Virginia Gómez-Vidales ◽  
Jesús Valdés-Martínez
Keyword(s):  
Crystal Structure ◽  
Electron Spin Resonance ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Inversion Center ◽  
Aromatic Rings ◽  
Special Position ◽  
Compound C ◽  
Dimensional Network ◽  
Spin Resonance

In the title compound, (C2H10N2)[Cu(C7H3NO4)2(H2O)4]·2H2O, the CuII ion occupies a special position on an inversion center and has an elongated octahedral geometry with the pyridine-3,5-dicarboxylate ligands in trans positions. The ethylenediammonium cation is also in a special position on an inversion center located at the mid-point of the C—C bond. Multiple crystallographically independent hydrogen bonds form a three-dimensional network in the crystal structure. π–π Interactions between aromatic rings of the pyridine-3,5-dicarboxylate ligand are observed. The electron-spin resonance (ESR) spectrum is in agreement with an elongated octahedral geometry.

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.

Die Kristallstruktur von Methyltriphenylphosphoniumhexachlorotitanat [MePh3P]2TiCl6 / The Crystal Structure of Methyltriphenylphosphonium Hexachlorotitanate

1981 ◽  
Vol 36 (2) ◽  
pp. 135-137 ◽  
Author(s):  
Evamarie Hey ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Unit Cell ◽  
Distorted Octahedron ◽  
Inversion Center ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions

The crystal structure of [MePh3P]2TiCl6 was determined from X-ray diffraction data and refined to a residual index of R = 0.065. It crystallizes in the space group P2i/n with two formula units per unit cell; the cell dimensions are a - 921, b = 1314, c = 1648 pm and y - 100.87°. The TiCl62- ion occupies an inversion center and has the shape of a slightly distorted octahedron with Ti-Cl distances between 233 and 235 pm.

Darstellung und Kristallstruktur von [(Me3Si)2CH(i-Pr)InCl]2 / Synthesis and Crystal Structure of [(Me3Si)2CH(i-Pr)InCl]2

1991 ◽  
Vol 46 (11) ◽  
pp. 1539-1543 ◽  
Author(s):  
Bernhard Neumüller
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Solid State ◽  
Title Compound ◽  
Unit Cell ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Cell Parameters

The title compound 1 has been prepared by the reaction of i-PrInCl2 with LiCH(SiMe3)2 in diethylether at -30 °C. The colorless substance 1 was characterized by NMR, IR, and RE spectroscopy, as well as by mass spectrometry. 1 is dimer in solution and the solid state and crystallizes in the space group P21/c with the cell parameters a = 1206.4(3) pm, b = 905.7(2) pm, c = 1591.2(5) pm, and β = 101.18(2)°. The unit cell contains two centrosymmetrical dimeric molecules.

scholarly journals (E)-4-[(1-Benzyl-4-benzylidene-2,5-dioxopyrrolidin-3-yl)methyl]benzaldehyde 0.25-hydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1184-o1184 ◽  
Author(s):  
Tao Yu ◽  
Yimin Hu
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Inversion Center ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Dimers

The crystal structure of the title compound, C26H21NO3·0.25H2O, reveals one stereogenic centre in the molecule. Nevertheless, due to the observed centrosymmetric space group, both enantiomers are present in the crystal packing. The water molecule of crystallisation is located on a crystallographic inversion center. The molecule contains one five-membered ring (A) and three six-membered rings (benzyl ringB, benzylidene ringCand formylbenzyl ringD). All four rings are not coplanar: the dihedral angles between ringsAandB,AandC, andAandDare 70.35 (9), 33.8 (1) and 60.30 (9)°, respectively. In the crystal, pairs of weak C—H...O interactions lead to the formation of centrosymmetric dimers. Additional C—H...O interactions link the dimers into chains along [011].

scholarly journals Crystal structure of the inverse crown ether tetrakis[μ2-bis(trimethylsilyl)amido]-μ4-oxido-dicobalt(II)disodium, [Co2Na2{μ2-N(SiMe3)2}4](μ4-O)

2016 ◽  
Vol 72 (6) ◽  
pp. 780-784 ◽  
Author(s):  
Christopher B. Hansen ◽  
Alexander S. Filatov ◽  
Gregory L. Hillhouse
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
Oxidation State ◽  
Crown Ethers ◽  
Title Compound ◽  
Infinite Chain ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
New Entry

The title compound, [Co2Na2{μ2-N(SiMe3)2}4](μ4-O), (I), represents a new entry in the class of inverse crown ethers. In the molecule, each Co atom is formally in the oxidation state +II. The structure contains one half of a unique molecule per asymmetric unit with the central μ4-oxido ligand residing on an inversion center, leading to a planar coordination to the Na and Co atoms. In the crystal, bulky trimethylsilyl substituents prevent additional interactions with cobalt. However, weak intermolecular Na...H3C—Si interactions form an infinite chain along [010]. The structure is isotypic with its Mg, Mn and Zn analogues.

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