scholarly journals Bis{μ4-N-[phenyl(pyridin-2-ylazanidyl)methyl]pyridin-2-aminido}tetrakis(tetrahydrofuran)tetralithium

2013 ◽  
Vol 69 (12) ◽  
pp. m683-m683 ◽  
Author(s):  
Juan Chen
Keyword(s):  
Complex Molecule ◽  
Title Complex ◽  
Coordination Modes ◽  
Bond Lengths ◽  
Pyramidal Geometry ◽  
Metal Atoms ◽  
Square Pyramidal Geometry

The title complex, [Li4(C17H14N4)2(C4H8O)4], bears a novel tetradentate diamido ligand. In the tetranuclear centrosymmetric complex molecule, the metal atoms exhibit two kinds of coordination modes. The middle two Li+cations are coordinated by four N (ligand) and one O (tetrahydrofuran, THF) atoms, resulting in a distorted square-pyramidal geometry. The outer two Li+cations are in distorted tetrahedral environments consisting of three N (ligand) and one O (THF) atoms. The Li—N bond lengths vary from 2.020 (7) to 2.441 (6)Å.

scholarly journals Crystal structure and Hirshfeld surface analysis of (aqua-κO)(methanol-κO)[N-(2-oxidobenzylidene)threoninato-κ3 O,N,O′]copper(II)

2020 ◽  
Vol 76 (9) ◽  
pp. 1539-1542
Author(s):  
Natsuki Katsuumi ◽  
Yuika Onami ◽  
Sayantan Pradhan ◽  
Tomoyuki Haraguchi ◽  
Takashiro Akitsu
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Surface Analysis ◽  
Complex Molecule ◽  
Hirshfeld Surface ◽  
Title Complex ◽  
Hirshfeld Surface Analysis ◽  
Tridentate Ligand ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

In the title complex molecule, [Cu(C11H11NO4)(CH4O)(H2O)], the Cu atom is coordinated in a distorted square-pyramidal geometry by a tridentate ligand synthesized from L-threonine and salicylaldehyde, one methanol molecule and one water molecule. In the crystal, the molecules show intra- and intermolecular O—H...O hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H...H (49.4%) and H...O/O...H (31.3%) contacts.

scholarly journals (Ethanolato-κO)[N′-(3-methoxy-2-oxidobenzylidene-κO2)benzohydrazidato-κ2N′,O]oxidovanadium(V)

2012 ◽  
Vol 68 (8) ◽  
pp. m1101-m1102
Author(s):  
Xiao-Hua Chen ◽  
Qiong-Jie Wu ◽  
Li-Juan Chen ◽  
Ming-Xing Yang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Basal Plane ◽  
Title Complex ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

In the title complex, [V(C15H12N2O4)(C2H5O)O], the VVion is coordinated by an oxide O atom, an ethanolate anion and two O atoms and one N atom from the tridentate benzohydrazidate dianion in a distorted square-pyramidal geometry; the V atom is displaced by 0.4748 (8) Å from the basal plane towards the axial oxide O atom. An intramolecular O—H...N hydrogen bond occurs in the benzohydrazidate ligand. Weak intermolecular C—H...O hydrogen bonding is present in the crystal.

Dichloro[tris(3-methyl-5-phenylpyrazol-1-yl)methane]copper(II) acetonitrile hemisolvate

2007 ◽  
Vol 63 (3) ◽  
pp. m685-m686
Author(s):  
Hong-Shan He ◽  
Seik Weng Ng
Keyword(s):  
Title Complex ◽  
Tripodal Ligand ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

In the title complex, [CuCl2(C31H28N6)]·0.5C2H3N, the Cu2+ atom is coordinated in a distorted square-pyramidal geometry by three N atoms from the pyrazolyl groups of the tripodal ligand, and by two chloride anions.

[Bis(2-pyridylmethyl)amine]dichloridozinc(II) chloroform solvate

2007 ◽  
Vol 63 (11) ◽  
pp. m2810-m2811 ◽  
Author(s):  
Young-Inn Kim ◽  
You-Soon Lee ◽  
Hoe-Joo Seo ◽  
Jin-Young Lee ◽  
Sung Kwon Kang
Keyword(s):  
Hydrogen Bonding ◽  
Title Complex ◽  
Pyramidal Geometry ◽  
Hydrogen Bonding Interactions ◽  
Square Pyramidal Geometry ◽  
Cl Atoms ◽  
Centrosymmetric Dimers

The Zn atom in the title complex, [ZnCl2(C12H13N3)]·CHCl3, adopts a distorted square-pyramidal geometry, being coordinated by three N atoms of the tridentate dipicolylamine ligand and two Cl atoms. Intermolecular N—H...Cl hydrogen-bonding interactions link the molecules into centrosymmetric dimers.

Dependence of the Distortion of the Square Pyramids in N, N-Dimethylethylenediammonium Pentachloroantimonate(III) on the Geometry of Hydrogen Bonds

2001 ◽  
Vol 56 (6) ◽  
pp. 521-525 ◽  
Author(s):  
Maciej Bujak ◽  
Jacek Zaleski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Mean Value ◽  
The Other ◽  
Monoclinic System ◽  
Bond Lengths ◽  
Pyramidal Geometry ◽  
The Mean ◽  
Square Pyramidal Geometry

AbstractN ,N-Dimethylethylenediammonium pentachloroantimonate(III) crystallizes in the monoclinic system, in space group P21/c (a = 12.460(2), b = 10.252(2), c = 10.330(2) Å, β = 97.75(3)°, V = 1307.5(4) Å3, Z = 4, dc = 1.997, dm = 1.99(2) g/cm3). The crystal structure of [(CH3)2NH(CH2)2NH3][SbCl5] consists of isolated [SbCl5]2- anions and [(CH3)2NH(CH2)2NH3]2+ cations. The [SbCl5]2- anion has a distorted square pyramidal geometry, presenting one short axial and four long equatorial Sb-Cl bonds. The square pyramids are characteristically stacked one close to the other, parallel to the c axis. The voids between the anionic sublattice are filled by [(CH3)2NH(CH2)2NH3]2+ cations. The five non-equivalent Sb-Cl bond distances within the [SbCl5]2- square pyramid are significantly different. The equatorial Sb-Cl bonds are in the range 2.427(2)-2.968(2) Å, whereas the axial one is 2.384(1) Å long. The study reveals that N-H...C1 hydrogen bonds are responsible for the deformation of equatorial Sb-Cl bonds from the mean value of 2.654(7) Å. Analysis of intermolecular interactions between the [SbCl5]2- pyramids in the structure, reflected in changes of Sb-Cl bond lengths from the values characteristic of non-interacting pyramids, leads to the conclusion that the van der Waals radius of Sb is significantly smaller than that estimated by Pauling.

(Benzoylacetonato)chloro[3-(dimethylamino)propylamine]copper(II)

2006 ◽  
Vol 62 (4) ◽  
pp. m843-m845
Author(s):  
Juan-Lan Huang ◽  
Yun-Long Feng
Keyword(s):  
Molecular Structure ◽  
Basal Plane ◽  
Title Complex ◽  
Apical Position ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry ◽  
Cl Atom

In the molecular structure of the title complex, [Cu(C10H9O2)Cl(C5H14N2)], the CuII atom is in a distorted square-pyramidal geometry, coordinated by two O atoms of a benzoylacetonate ligand and two N atoms of a 3-(dimethylamino)propylamine ligand in the basal plane, while a Cl atom occupies the apical position.

scholarly journals Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate

2015 ◽  
Vol 71 (2) ◽  
pp. m38-m39
Author(s):  
Benjamin Hawks ◽  
Jingjing Yan ◽  
Prem Basa ◽  
Shawn Burdette
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Lattice ◽  
Copper Complexes ◽  
Title Complex ◽  
Dihedral Angles ◽  
Pyridine Ligand ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

The title complex, [Cu(C9H6NO)2(C5H4N)]·H2O, adopts a slightly distorted square-pyramidal geometry in which the axial pyridine ligand exhibits a long Cu—N bond of 2.305 (3) Å. The pyridine ligand forms dihedral angles of 79.5 (5) and 88.0 (1)° with the planes of the two quinolin-2-olate ligands, while the dihedral angle between the quinoline groups of 9.0 (3)° indicates near planarity. The water molecule connects adjacent copper complexes through O—H...O hydrogen bonds to phenolate O atoms, forming a network interconnecting all the complexes in the crystal lattice.

A Molecular Orbital Study of the Stereochemistry of Pentacoordinated Aluminium

1979 ◽  
Vol 32 (2) ◽  
pp. 231 ◽  
Author(s):  
RJ Hill ◽  
GV Gibbs ◽  
RC Peterson
Keyword(s):  
Total Energy ◽  
Molecular Orbital ◽  
Minimum Energy ◽  
Edge Length ◽  
Hydroxyl Groups ◽  
Bond Lengths ◽  
Pyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Square Pyramidal Geometry ◽  
Shared Edge

An attempt has been made to characterize the stereochemical requirements of an aluminium atom coordinated by five hydroxyl groups (AlO5H52-) within the framework of CNDO/2 molecular orbital formalism. Total energy surfaces calculated for this system as the valence angles are varied within the constraints of C2v symmetry clearly show the 'reaction coordinate' for the so-called Berry pseudo- rotation mechanism. With all Al-O and O-H bond lengths fixed at 1.84 and 1.00 Ǻ respectively, the activation energy for trigonal-bipyramidal/square-pyramidal interconversion is 7.1 kJ mol-1. In addition, the minimum energy O(axial)-Al-O(basal) angle for the square-pyramidal group is estimated to be c. 103.5°. When one bond is lengthened relative to the other four the trigonal-bipyramidal configuration is further stabilized, but approaches tetrahedral geometry. When one bond is shortened square-pyramidal geometry is stabilized and the minimum energy O(ax)-Al-O(bs) angle increases. With two bonds lengthened (or shortened) the favoured trigonal-bipyramidal configuration is the one with long bonds directed towards the axial positions and at no stage is there a stabilization of square-pyramidal geometry. These results agree with trends in calculated Mulliken bond overlap populations and with observed ratios of axial-to-basal bond lengths in suggesting that for trigonal- bipyramidal stereochemistry the axial bonds are weaker, whereas for square-pyramidal geometry the axial bond is stronger. Moreover, consideration of the total energy for various isomers of Al(OH)4F2- indicates that more electronegative substituents prefer to enter the apical and basal positions in a trigonal bipyramid and a square pyramld respectively. For a cluster Al2(OH)82-, consisting of two aluminium trigonal-bipyramidal groups sharing a common edge of variable length, an energy minimum (62.2 kJ mol-1 lower than the undistorted case) is found at a shared edge length of 2.246 A, 13 % shorter than for the undistorted polyhedron. The corresponding observed distance for a similar dimer in the mineral andalusite, Al2SiO5, is 2.247(7) Ǻ. Plots of minimum energy shared edge length against mean bond length for various clusters M2(OH)8n-, where M = Al or Mg, clearly demonstrate an essentially linear relationship between the two parameters consistent wlth trends observed for natural systems in which M = Co, Cu, Mn and Zn.

scholarly journals (2,2′-Bipyridine-κ2 N,N′){N-[(2-oxidonaphthalen-1-yl-κO)methylidene]-L-valinato-κO}copper(II) trihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m792-m792 ◽  
Author(s):  
Jian Zuo ◽  
Caifeng Bi ◽  
Yuhua Fan ◽  
Nan Zhang ◽  
Pengfei Zhang
Keyword(s):  
Schiff Base ◽  
Hydrogen Bonds ◽  
Schiff Base Ligand ◽  
Title Complex ◽  
Two Dimensional ◽  
Pyramidal Geometry ◽  
Dimensional Network ◽  
Bipyridine Ligand ◽  
Square Pyramidal Geometry

In the title complex, [Cu(C16H15NO3)(C10H8N2)]·3H2O, the CuII atom is five coordinated by O,N,O′-donor atoms of the Schiff base ligand and by two N atoms of the 2,2′-bipyridine ligand in a distorted square-pyramidal geometry. In the crystal, molecules are linked into a two-dimensional network parallel to (011) by O—H...O hydrogen bonds.

scholarly journals Chlorido(2,2′-{[2-(1-methyl-1H-imidazol-2-yl-κN 3)imidazolidine-1,3-diyl-κN]bis(methylene)}bis(1-methyl-1H-imidazole-κN 3))copper(II) perchlorate

2019 ◽  
Vol 75 (5) ◽  
pp. 547-551
Author(s):  
Diego da Silva Padilha ◽  
Marciela Scarpellini
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Complex ◽  
Stacking Interactions ◽  
Metal Centre ◽  
Pyramidal Geometry ◽  
Π Stacking ◽  
Methyl Imidazole ◽  
Square Pyramidal Geometry

In the crystal structure of the title complex, [CuCl(C17H24N8)]ClO4, the copper(II) metal exhibits an N4Cl pentacoordinate environment in a distorted square-pyramidal geometry. Coordination to the metal centre occurs through the three 1-methylimidazole N atoms from the pendant groups, one amine N atom from the imidazolidine moiety and one chlorido anion. Intermolecular interactions take place at two of the 1-methyl-imidazole rings in the form of parallel-displaced π–π stacking interactions forming chains parallel to the a axis. Three O atoms of the perchlorate anion are rotationally disordered between two orientations with occupancies of 0.5.

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