scholarly journals Bis[2,6-bis(trimethylsilylamino)pyridine-κN1]{[6-bis(trimethylsilylamino)pyridin-2-yl-κN1](trimethylsilyl)azanido-κN}lithium

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Justin A. Rave ◽  
Diego A. Garcia ◽  
Patrick C. Hillesheim ◽  
Gary L. Guillet
Keyword(s):  
Electrostatic Interactions ◽  
Crystal Packing ◽  
Chelate Ring ◽  
Title Complex ◽  
The Other ◽  
Lithium Cation ◽  
Intermolecular Hydrogen Bonding ◽  
Tetrahedral Environment ◽  
Pyridine Nitrogen ◽  
Dominant Feature

The title complex, [Li(C11H22N3Si2)(C11H23N3Si2)2], contains a single lithium cation coordinated to three ligands. This is the first reported example of the ligand 2,6-bis(trimethylsilylamino)pyridine supporting a monometallic complex. One ligand is mono-anionic and forms a four-membered chelate ring with the lithium cationviathe pyridine and silylamido N atoms. The other two ligands are neutral and bindviathe pyridine nitrogen. The lithium cation is coordinated in a tetrahedral environment. No intra- or intermolecular hydrogen bonding is observed in the crystal structure, likely indicating that weak electrostatic interactions are the dominant feature of the crystal packing.

scholarly journals (18-Crown-6-κ6O){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κN1]azanido-κN}potassium(I)

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
Sydney E. Toney ◽  
Patrick C. Hillesheim ◽  
Gary L. Guillet
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Electrostatic Interactions ◽  
Crystal Packing ◽  
Ion Pair ◽  
Membered Ring ◽  
Title Complex ◽  
Intermolecular Hydrogen Bonding ◽  
Contact Ion Pair ◽  
Dominant Feature

The title complex, [K(C11H22N3Si2)(C12H24O6)], contains a single K+cation coordinated by a monoanionic (6-trimethylsilylaminopyridin-2-yl)(trimethylsilyl)azanide (HL) ligand and an 18-crown-6 ligand. One SiMe3group in HLis disordered over two positions, with an occupancy ratio of 0.727 (7):0.273 (7). The K+cation is eight-coordinated, distributed between the pyridyl and azanide N atoms of HL, forming a four-membered ring, and a κ618-crown-6 ligand. The complex is best described as a contact ion pair and, unlike other similar literature examples, this complex does not dimerize. No intermolecular hydrogen bonding is observed in the crystal structure, likely indicating that weak electrostatic interactions are the dominant feature directing the crystal packing.

scholarly journals Bis[μ-N,N′-(pyridine-2,6-diyl)bis(trimethylsilylamido)-1κ2N1,N2;2:3κ2N6:N6]bis(tetrahydrofuran)-2:3κ2O-1-nickel(II)-2,3-lithium(I)

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Alan M. Boltin ◽  
Gary L. Guillet
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Electrostatic Interactions ◽  
Rotational Symmetry ◽  
Title Complex ◽  
Planar Geometry ◽  
Intermolecular Hydrogen Bonding ◽  
Trimethylsilyl Group ◽  
Square Planar ◽  
Dominant Feature

The title complex, [Li2Ni(C11H21N3Si2)2(C4H8O)2], is a trimetallic complex of two LiIcations and a NiIIcation bridged by twoN,N′-(pyridine-2,6-diyl)bis(trimethylsilylamide) ligands that crystallizes in theFdd2 space group. The molecule hasC2rotational symmetry, with the NiIIcation located on the twofold axis. The coordination sphere of the NiIIcation is composed of two amido N and two pyridyl N-atom donors in a distorted square-planar geometry. The LiIcations are coordinated by two amido N-atom donors and a tetrahydrofuran molecule with a long interaction with a pyridyl N-atom donor. The coordinating tetrahydrofuran ligand and a trimethylsilyl group are disordered. Intra- or intermolecular hydrogen bonding, as well as π–π stacking, are not observed between the molecules, likely indicating that weak electrostatic interactions are the dominant feature leading to the crystal structure.

scholarly journals Bis[μ-2-(trimethylsilylamido)-6-(trimethylsilylamino)pyridine-κ3N1,N2:N2]bis[(diethyl ether-κO)lithium(I)]

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Justin A. Rave ◽  
Diego A. Garcia ◽  
Patrick C. Hillesheim ◽  
Gary L. Guillet
Keyword(s):  
Diethyl Ether ◽  
Electrostatic Interactions ◽  
Title Complex ◽  
Lithium Cation ◽  
Tetrahedral Coordination ◽  
Dimeric Complex ◽  
Pyridine Ligand ◽  
Coordination Environment ◽  
Dominant Feature ◽  
Ether Molecule

The title complex, [Li2(C11H22N3Si2)2(C4H10O)2], crystallizes in theP-1 space group with one molecule of a centrosymmetric dimeric complex in the unit cell. The lithium cation is coordinated in a bidentate fashion by the pyridyl N atom and a silylamido N atom of one 2,6-bis(trimethylsilylamido)pyridine ligand and by a monodentate, bridging silylamido N atom of another. A diethyl ether molecule completes the tetrahedral coordination environment for each lithium atom. Neither intra- nor intermolecular hydrogen bonding nor π–π stacking are observed in the crystal, likely indicating that weak electrostatic interactions are the dominant feature leading to the supramolecular structure.

scholarly journals Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-κ2 N 2,S}nickel(II)

2012 ◽  
Vol 68 (6) ◽  
pp. m725-m726 ◽  
Author(s):  
Ming-Yueh Tan ◽  
Thahira Begum S. A. Ravoof ◽  
Mohamed Ibrahim Mohamed Tahir ◽  
Karen A. Crouse ◽  
Edward R. T. Tiekink
Keyword(s):  
Least Squares ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chelate Ring ◽  
Title Complex ◽  
Planar Geometry ◽  
Square Planar ◽  
Supramolecular Chains ◽  
Chelate Rings

The complete molecule of the title complex, [Ni(C19H21N2OS2)2], is generated by the application of twofold symmetry. The NiII atom is N,S-chelated by two hydrazinecarbodithioate ligands, which provide an N2S2 donor set that defines a distorted square-planar geometry, the S atoms being approximately cis. The conformation of the chelate ring is an envelope with the NiII atom being the flap atom. The dihedral angle between the least-squares planes through the chelate rings = 30.10 (6)°. Supramolecular chains propagated by glide symmetry along the c axis and mediated by C—H...N contacts feature in the crystal packing.

scholarly journals catena-Poly[[diaqua(1,10-phenanthroline-κ2N,N′)nickel(II)]-μ-1H-benzimidazole-5,6-dicarboxylato-κ2N3:O6]

2009 ◽  
Vol 65 (6) ◽  
pp. m701-m701 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Shi-Wei Hu ◽  
Pei-Wen Qin ◽  
Shi-Jie Li
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Title Complex ◽  
Water Molecules ◽  
Zigzag Chain ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Phenanthroline Ligand

In the title complex, [Ni(C9H4N2O4)(C12H8N2)(H2O)2]n, the NiIIatom is hexacoordinated by one N and one O atom from two different 1H-benzimidazole-5,6-dicarboxylate ligands, two N atoms from one 1,10-phenanthroline ligand and two water molecules. The flexible 1H-benzimidazole-5,6-dicarboxylate ligands link the NiIIcentres, forming an infinite zigzag chain parallel to [001]. The crystal packing is governed by intermolecular hydrogen-bonding interactions of the O—H...O, N—H...O and C—H...O types.

scholarly journals Tris(ethane-1,2-diamine-κ2 N,N′)zinc(II) tetrachloridozincate(II)

IUCrData ◽  
2020 ◽  
Vol 5 (5) ◽  
Author(s):  
Y. AaminaNaaz ◽  
K. Rajkumar ◽  
S. Thirumurugan ◽  
K. Anbalagan ◽  
A. SubbiahPandi
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Title Complex ◽  
Tetrahedral Environment ◽  
Distorted Octahedral

The title complex, [Zn(C2H8N2)3][ZnCl4], exists as discrete ions. The [Zn(C2H8N2)3]2+ cation exhibits a distorted octahedral shape. In the [ZnCl4]2− anion, the ZnII atom is in an almost regular tetrahedral environment. The crystal packing is consolidated by N—H...Cl and C—H...Cl hydrogen bonds.

catena-Poly[1-ethyl-4-methylpyridinium [argentate(I)-di-μ-iodido]]

2007 ◽  
Vol 63 (11) ◽  
pp. m2846-m2847 ◽  
Author(s):  
Yun Jie Wang ◽  
Hao Hong Li ◽  
Zhi Rong Chen ◽  
Chang Cang Huang ◽  
Ji Bo Liu
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Electrostatic Interactions ◽  
Crystal Packing ◽  
Chain Structure ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Self Assembling ◽  
Compound C ◽  
Tetrahedral Environment

The title compound, {(C8H12N)[AgI2]} n , was synthesized by a self-assembling reaction of 1-ethyl-4-methylpyridinium iodide and silver(I) iodide. The anion adopts a one-dimensional chain structure with the Ag atom in the chain in a nearly regular tetrahedral environment. The crystal packing is stabilized by electrostatic interactions and by a C—H...I hydrogen bond between a methylene H atom of the ethyl substituent and an I atom.

scholarly journals cis-Chloridobis(4,4′-dimethyl-2,2′-bipyridine)nitrosylruthenium(II) bis(hexafluorophosphate)

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Hasan Shamran Mohammed ◽  
Marine Tassé ◽  
Isabelle Malfant ◽  
Laure Vendier
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Chloride Ion ◽  
Octahedral Geometry ◽  
Title Complex ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Rotation Axes ◽  
Distorted Octahedral

In the cation of the title complex, [RuCl(NO)(C12H12N2)2](PF6)2, the central RuII ion is sixfold coordinated by a chloride ion and a nitrosyl ligand, which are cis to one another, and by four N atoms of two 4,4′-dimethyl-2,2′-bipyridine ligands, in a slightly distorted octahedral geometry. One of the PF6 − anions is located in a general position, while the other is composed of two half PF6 − anions located on twofold rotation axes. The crystal packing is dominated by C—H...F hydrogen bonds, leading to the formation of a three-dimensional supramolecular structure. There are also C—H...Cl hydrogen bonds present.

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

Molecular tapes in the structure of isoguaninium chloride

2017 ◽  
Vol 74 (1) ◽  
pp. 108-112 ◽  
Author(s):  
Urszula Anna Budniak ◽  
Paulina Maria Dominiak
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Charge Density ◽  
Interaction Energy ◽  
Electrostatic Interaction ◽  
Electrostatic Interactions ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Structure

Isoguanine, an analogue of guanine, is of intrinsic interest as a noncanonical nucleobase. The crystal structure of isoguaninium chloride (systematic name: 6-amino-2-oxo-1H,7H-purin-3-ium chloride), C5H6N5O+·Cl−, has been determined by single-crystal X-ray diffraction. Structure analysis was supported by electrostatic interaction energy (E es) calculations based on charge density reconstructed with the UBDB databank. In the structure, two kinds of molecular tapes are observed, one parallel to (010) and the other parallel to (50\overline{4}). The tapes are formed by dimers of isoguaninium cations interacting with chloride anions. E es analysis indicates that cations in one kind of tape are oriented so as to minimize repulsive electrostatic interactions.

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