scholarly journals (Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I)

IUCrData ◽  
2021 ◽  
Vol 6 (8) ◽  
Author(s):  
Joshua Rushlow ◽  
Andrei V. Astashkin ◽  
Daniel R. Albert ◽  
Edward Rajaseelan
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Diffraction Data ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Coordination Environment ◽  
Square Planar ◽  
Two Component ◽  
Halide Ligand

A new triazole-based neutral RhI complex, [Rh(Cl0.846Br0.154)(C6H11N3)(C8H12)], has been synthesized and structurally characterized. The RhI atom has a distorted square-planar coordination environment, formed by a bidentate cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene and a halide ligand that shows substitutional disorder (Cl:Br = 0.846:0.154). No significant intermolecular interactions other than van der Waals forces are found in the crystal structure. Diffraction data indicated a two-component inversion twin with a ratio of 0.95 (5):0.05 (5).

scholarly journals Crystal structure of bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)manganese(II) 2,2′-bipyridine monosolvate

2015 ◽  
Vol 71 (1) ◽  
pp. m3-m4
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral

In the crystal structure of the mononuclear title compound, [Mn(NCS)2(C10H8N2)2]·C10H8N2, the MnIIcation is coordinated in an all-cisconfiguration by two N-bound thiocyanate anions and two 2,2′-bipyridine ligands within a slightly distorted octahedral environment. The asymmetric unit consists of one MnIIcation, two thiocyanate anions and two 2,2′-bipyridine ligands, as well as two non-coordinating 2,2′-bipyridine ligands that are each located on centres of inversion. In the crystal structure, the discrete [Mn(NCS)2(C10H8N2)2] complex molecules are arranged in such a way that cavities are formed, in which the solvent 2,2′-bipyridine molecules are located. Apart from van der Waals forces, there are no remarkable intermolecular interactions present in the crystal structure.

scholarly journals Crystal structure of the η4-ketimine titanium complex (diphenylamido-κN){3-methyl-6-[(4-methylphenyl)(phenylazanidyl)methylidene]cyclohexa-2,4-dien-1-yl-κ2N,C1}(η5-pentamethylcyclopentadienyl)titanium(IV)

2018 ◽  
Vol 74 (1) ◽  
pp. 34-37
Author(s):  
Malte Fischer ◽  
Marc Schmidtmann ◽  
Rüdiger Beckhaus
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Coordination Mode ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Sandwich Complex ◽  
Titanium Complex ◽  
Half Sandwich

The molecular structure of the title titanium(IV) half-sandwich complex, [Ti(η5-C10H15)(η4-C21H19N)(C12H10N)], shows a three-legged piano-stool geometry at the central TiIVatom, comprising of one pentamethylcyclopentadienyl ligand, one bidentate ketimine ligand in an η4-coordination mode and one monodentate diphenylamide ligand. Except for van der Waals forces, there are no significant intermolecular interactions in the crystal.

scholarly journals Crystal structure of di-μ-iodido-bis[bis(acetonitrile-κN)copper(I)]

2015 ◽  
Vol 71 (11) ◽  
pp. m189-m190
Author(s):  
Eva Rebecca Barth ◽  
Christopher Golz ◽  
Michael Knorr ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Tetrahedral Coordination ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Distorted Tetrahedral Coordination

The title compound, [Cu2I2(CH3CN)4], exhibits a centrosymmetric Cu2I2core [Cu...Cu distance = 2.7482 (11) Å], the CuIatoms of which are further coordinated by four molecules of acetonitrile. The CuIatom has an overall distorted tetrahedral coordination environment evidenced byL—Cu—Langles (L= N or I) ranging from 100.47 (10) to 117.06 (2)°. The coordination geometries of the acetonitrile ligands deviate slightly from linearity as shown by Cu—N—C angles of 167.0 (2) and 172.7 (2)°. In the crystal, there are no significant hydrogen-bonding interactions present, so the crystal packing seems to be formed predominantly by van der Waals forces.

scholarly journals trans-Dichloridobis(4-methoxyaniline-κN)palladium(II)

2009 ◽  
Vol 65 (6) ◽  
pp. m673-m673 ◽  
Author(s):  
Volodimir Bon ◽  
Svitlana Orysyk ◽  
Vasyl Pekhnyo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Planar Geometry ◽  
Coordination Environment ◽  
Square Planar ◽  
A Chain

In the title compound, [PdCl2(C7H9NO)2], the Pd atom is situated on a crystallographic centre of inversion. The coordination environment of the Pd atom shows a slightly distorted square-planar geometry. The crystal structure exhibits weak intermolecular Pd...Cl interactions, with Pd...Cl distances of 3.6912 (6) Å. A chain-like arrangement of molecules realized by intermolecular N—H...Cl hydrogen bonds is observed along [010].

scholarly journals Crystal structure of 2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)acetonitrile

2015 ◽  
Vol 71 (10) ◽  
pp. o792-o793
Author(s):  
K. Priya ◽  
K. Saravanan ◽  
S. Kabilan ◽  
S. Selvanayagam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Chair Conformation ◽  
Equatorial Orientation ◽  
Amino Group ◽  
Phenyl Rings

In the title 3-azabicyclononane derivative, C22H22N2, both the fused piperidine and cyclohexane rings adopt a chair conformation. The phenyl rings attached to the central azabicylononane fragment in an equatorial orientation are inclined to each other at 23.7 (1)°. The amino group is not involved in any hydrogen bonding, so the crystal packing is stabilized only by van der Waals forces.

scholarly journals Synthesis and crystal structure of [Pd{C6H4(CH2NHCH2Ph)-2-κ2C,N}(μ-I)]2

2017 ◽  
Vol 73 (11) ◽  
pp. 1612-1615
Author(s):  
Delia Bautista ◽  
Sergio J. Benitez-Benitez
Keyword(s):  
Crystal Structure ◽  
Significant Influence ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Synthesis And Crystal Structure ◽  
Square Planar ◽  
Intermolecular Contacts ◽  
Type C ◽  
Methyl Phenyl

The binuclear title complex, di-μ-iodido-bis({2-[(benzylamino-κN)methyl]phenyl-κC1}palladium(II)), [Pd2I2(C14H14N)2], was prepared by reaction of [Pd{C6H4(CH2NHCH2Ph)-2}(μ-OAc)]2with NaI. It crystallizes with one discrete molecule in the asymmetric unit. The molecule presents an iodide-bridged dimeric structure with acisoidarrangement with respect to theC,N-cyclopalladated ligands. Both PdIIatoms have a slightly distorted square-planar coordination environment. Weak intermolecular contacts of the type C—H...Pd seem to have a significant influence on the arrangement of the molecules along thebaxis in the crystal.

scholarly journals Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Artem V. Malin ◽  
Sergei I. Ivlev ◽  
Roman V. Ostvald ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Atomic Coordinates

Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data. We confirmed that the structure contains square-planar [BrF4]− anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner. The compound crystallizes in the KBrF4 structure type. Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al. (2015). Z. Anorg. Allg. Chem. 641, 2593–2598].

scholarly journals Crystal structure of bis(μ2-4-tert-butyl-2-formylphenolato)-1:2κ3O1,O2:O1;3:4κ3O1,O2:O1-bis(4-tert-butyl-2-formylphenolato)-2κ2O1,O2;4κ2O1,O2-di-μ3-methoxido-1:2:3κ3O;1:3:4κ3O-di-μ2-methoxido-1:4κ2O;2:3κ2O-tetracopper(II)

2015 ◽  
Vol 71 (3) ◽  
pp. 324-326
Author(s):  
Bernhard Eberhard Christian Bugenhagen ◽  
Marc Heinrich Prosenc
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Title Compound ◽  
Coordination Environment ◽  
Dinuclear Copper ◽  
Tert Butyl ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The structure of the title compound, [Cu4(CH3O)4(C11H13O2)4], consists of dimeric dinuclear copper(II) complexes oriented around a centre of inversion. Within each dinuclear fragment, the two CuIIatoms are in a distorted square-planar coordination sphere. Two neighbouring fragments are linked by four apical Cu—O contacts, yielding an overall square-pyramidal coordination environment for each of the four CuIIatoms. The molecules are arranged in layers parallel to (101). Non-classical C—H...O hydrogen-bonding interactions are observed between the layers.

scholarly journals 2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate

2012 ◽  
Vol 68 (6) ◽  
pp. o1884-o1884 ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Makbule Yilmaz ◽  
Ahmet Tutar ◽  
Ramazan Erenler ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentene Ring

In the title compound, C11H10Br2O2, the cyclopentene ring fused to the benzene ring adopts an envelope conformation, with the C atom attached to the Br atom as the flap. The crystal structure does not exhibit any classical hydrogen bonds. The molecular packing is stabilized by van der Waals forces and π–π stacking interactions with a centroid–centroid distance of 3.811 (4) Å.

scholarly journals Crystal structure of (2-{3-[4-(4′-cyanobiphenyl-4-yloxy)butoxy]pyridin-2-yl-κN}-5-(dodecyloxy)phenyl-κC1)(9-oxotetracos-7-en-7-olato-κ2O,O′)platinum(II)

2014 ◽  
Vol 70 (12) ◽  
pp. m392-m393
Author(s):  
Kaijun Luo ◽  
Hanlin Liu ◽  
Qing Guo ◽  
Daibing Luo
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Coordination Environment ◽  
Square Planar ◽  
C And N ◽  
Alkane Chain

The central PtIIatom in the title compound, [Pt(C40H47N2O3)(C24H45O2)], has a slightly distorted square-planar coordination environment. The dihedral angle between the plane formed by Pt and the chelating C and N atoms and that formed by Pt and the chelating O atoms is 2.1 (3)°. The angle between the planes of the two rings in the biphenyl-4-carbonitrile unit is 35.1 (5)°. One lateral alkane chain is disordered over two sets of sites with site occupancy factors in a 0.595 (7):0.405 (7) ratio.

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