scholarly journals Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ2P,P′}palladium(II)) diethyl ether disolvate

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Martha Höhne ◽  
Bernd H. Müller ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Dihedral Angle ◽  
Diethyl Ether ◽  
Title Compound ◽  
Palladium Complex ◽  
Solvent Molecule ◽  
The Novel ◽  
Bite Angle ◽  
Square Planar ◽  
Metal Catalyzed

The title compound, [Pd2(C18H54Cl2N4P2Si6)2Cl2]·2C4H10O, features a dinuclear chloride-bridged palladium complex bearing two equivalents of the novel monoanionic mixed valent (λ3-P)—N—(λ5-P) ligand. A metal catalyzed coupling of two aminoiminophosphines and a shift of one chlorine from the metal to the phosphorus results in the (λ3-P)—N—(λ5-P) ligand. The molecule contains a planar bimetallic Pd2Cl2core with a crystallographic centre of inversion at the mid-point of the Pd...Pd line. The Pd atoms are in a distorted square-planar arrangement, where the P/Pd/P and Cl/Pd/Cl planes are twisted with respect to each other by a dihedral angle of 7.57 (4)°. The P—Pd—P bite angle is 71.380 (18)°. Intramolecular C—H...Cl interactions are observed. In the crystal, the diethyl ether solvent molecule is disordered over two sites, with an occupancy ratio of 0.788 (5):0.212 (5).

scholarly journals cis-Dichloridobis(quinoline-κN)platinum(II) nitromethane monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. m491-m491 ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Metal Complex ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Maximum Deviation ◽  
Central Plane ◽  
Square Planar ◽  
Planar Environment

In the title compound, [PtCl2(C9H7N)2]·CH3NO2, the PtIIcation is four-coordinated in an essentially square-planar environment by two N atoms from two quinoline ligands and two Cl−anions. One of the nearly planar quinoline ligands [maximum deviations = 0.042 (6) and 0.018 (7) Å] is almost perpendicular to the PtCl2N2unit [maximum deviation = 0.024 (3) Å], making a dihedral angle of 89.6 (1)°, whereas the other is slightly inclined to the central plane with a dihedral angle of 74.1 (1)°. The dihedral angle between the quinoline ligands is 88.3 (2)°. In the crystal, each solvent molecule is linked to the metal complex by weak intermolecular C—H...O hydrogen bonds.

Bis{2-[(3,5-diphenyl-1H-pyrrol-2-ylidene-κN)amino]-3,5-diphenylpyrrol-1-ido-κN}palladium(II): a homoleptic four-coordinate tetraphenylazadipyrromethene complex of palladium

2014 ◽  
Vol 70 (2) ◽  
pp. 165-168 ◽  
Author(s):  
Roderick C. Jones ◽  
Helge Müller-Bunz ◽  
Paul Evans ◽  
Donal F. O'Shea
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Unit Cell ◽  
Planar Geometry ◽  
Bond Lengths ◽  
Π Interactions ◽  
Bite Angle ◽  
Square Planar ◽  
Amine Ligands

The structural chemistry of the title compound, [Pd(C32H22N3)2], at 173 K is described. The compound is comprised of two deprotonated (3,5-diphenyl-1H-pyrrol-2-yl)(3,5-diphenylpyrrol-2-ylidene)amine ligands coordinated to a central PdIIcation, which lies on an inversion centre and has distorted square-planar geometry. The Pd—N bond lengths range from 2.008 (4) to 2.014 (4) Å and the bite angle is 84.16 (14)°. The chelate plane makes a dihedral angle of 45.3 (2)° with respect to the central PdN4plane, giving a stepped conformation to the molecule. The complex displays simple intramolecular C—H...N hydrogen bonds, while the unit cell consists of discrete monomeric Pd(C32H22N3)2units which display intermolecular C—H...π interactions and limited intra- and intermolecular π–π stacking.

scholarly journals (Z)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3H)-one dichloromethane hemisolvate

2014 ◽  
Vol 70 (4) ◽  
pp. o418-o418
Author(s):  
Palak Agarwal ◽  
Pragati Mishra ◽  
Nikita Gupta ◽  
Neelam ◽  
Priyaranjan Sahoo ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Halogen Bond ◽  
Solvent Molecule ◽  
Twofold Axis ◽  
Bond Interaction ◽  
The Mean

In the title compound, 2C14H8N4O6·CH2Cl2, the dichloromethane solvent molecule resides on a crystallographic twofold axis. The mean plane of the phthalisoimide ring is oriented at a dihedral angle of 32.93 (12)° with respect to the nitro-substituted benzene ring. An intramolecular N—H...O hydrogen bond occurs. The crystal packing features a short Cl...O halogen-bond interaction [3.093 (3) Å].

scholarly journals Di-μ-chlorido-bis{[2-(di-tert-butylphosphanyl)biphenyl-3-yl-κ2C3,P]palladium(II)} dichloromethane disolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m86-m86 ◽  
Author(s):  
Cedric W. Holzapfel ◽  
Bernard Omondi
Keyword(s):  
Palladium Complex ◽  
Solvent Molecule ◽  
Membered Ring ◽  
The Other ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Square Planar ◽  
Cl Atoms

The asymmetric unit of the title compound, [Pd2Cl2(C20H26P)2]·2CH2Cl2, contains one half-molecule of the palladium complex and a dichloromethane solvent molecule. In the complex, two PdIIatoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdIIatom and a cyclometallated four-membered ring. The Pd2Cl2unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.

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.

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

{Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ2 N,N′}dichloridozinc(II) methanol solvate

2007 ◽  
Vol 63 (11) ◽  
pp. m2679-m2679 ◽  
Author(s):  
Rae Eun Lee ◽  
Yeon Do Park ◽  
Jong Hwa Jeong
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Hydrogen Bond System ◽  
Bond System ◽  
Cl Atoms ◽  
Ethyl Amine

In the title compound, [ZnCl2(C14H23N5)]·CH3OH, the Zn atom is coordinated by two N atoms and two Cl atoms in an approximately tetrahedral arrangement. The dihedral angle between the N—Zn—N and Cl—Zn—Cl planes is 89.69 (5)°. The methanol solvent molecule takes part in the formation of the hydrogen-bond system.

scholarly journals (E)-tert-Butyl 2-(5-{[4-(dimethylamino)phenyl]diazenyl}-2,6-dioxo-1H-pyrimidin-3-yl)acetate dichloromethane monosolvate

2014 ◽  
Vol 70 (5) ◽  
pp. o556-o557
Author(s):  
Robert H. E. Hudson ◽  
Mohamed E. Moustafa ◽  
Paul D. Boyle
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Tert Butyl ◽  
Compound C ◽  
Phenyl Rings ◽  
Graph Set ◽  
Short Contacts

In the title compound, C18H23N5O4·CH2Cl2, the dichloromethane solvent molecule is disordered over two sets of sites in a 0.630 (13):0.370 (13) ratio. The dihedral angle between the uracil and phenyl rings is 30.2 (1)°. In the crystal, the principal interactions are N—H...O hydrogen bonds, which link uracil units across centres of symmetry, forming eight-membered rings with anR22(8) graph-set motif. The structure also displays C—H...O and C—H...Cl hydrogen bonds. Intramolecular C—H...O short contacts are also observed.

scholarly journals Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ4 N]zinc diethyl ether solvate

2018 ◽  
Vol 74 (11) ◽  
pp. 1609-1612 ◽  
Author(s):  
Lisa Leben ◽  
Eike Schaub ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Metal Cation ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Apical Position ◽  
Picket Fence ◽  
Ether Molecule ◽  
Porphyrin Moiety

The crystal structure of the title compound, [Zn(C48H24N8S4)(C4H10O)]·C4H10O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The ZnII cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether molecule in a slightly distorted square-pyramidal environment with the diethyl ether molecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether molecule. All four isothiocyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate molecules are located around a twofold rotation axis. The O atom of the solvent molecule is not positioned exactly on the twofold rotation axis, thus making the whole molecule equally disordered over two symmetry-related positions.

scholarly journals Bis[2,3-bis(pyridin-2-yl)pyrazine-κ2 N 2,N 3]palladium(II) dinitrate acetonitrile monosolvate

IUCrData ◽  
2021 ◽  
Vol 6 (2) ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Planar Geometry ◽  
Intermolecular Hydrogen Bonds ◽  
Complex Molecules ◽  
Square Planar ◽  
Complex Anions

The title compound, [Pd(C14H10N4)2](NO3)2·CH3CN, consists of a cationic PdII complex, two anions and one lattice solvent molecule, all in general positions. In the complex, the PdII cation is four-coordinated in a slightly distorted square-planar geometry defined by the four N atoms of two bidentate 2,3-di-2-pyridylpyrazine ligands. The complex, anions and solvent molecule are linked by weak C—H...O intermolecular hydrogen bonds. In the crystal, the complex molecules are stacked in columns along the a axis.

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