scholarly journals Crystal structure of [N,N′-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diimine-κ2N,N′]dichloridopalladium(II) methanol monosolvate

2015 ◽  
Vol 71 (9) ◽  
pp. m164-m165
Author(s):  
Alfredo Peñaloza ◽  
Frank R. Fronczek ◽  
Ralph Isovitsch
Keyword(s):  
Title Compound ◽  
Crystal Packing ◽  
Intermolecular Hydrogen Bonding ◽  
Torsion Angles ◽  
Coordination Environment ◽  
Bite Angle ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Solvent Molecules ◽  
Cl Atoms

The title compound, [PdCl2(C28H24N2)]·CH3OH, was prepared from the reaction of PdCl2(DMSO)2(DMSO is dimethyl sulfoxide) andN,N′-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diimine in methanol. The chelating diimine core of the title compound deviates slightly from planarity, with an N—C—C—N torsion angle of 5.3 (3)°. Delocalization in the diimine core is indicated by N—C and C—C bonds that are, respectively, longer and shorter than those found in related nonchelating diimines. The distorted square-planar coordination environment around the PdIIatom is manifested as bond angles that are smaller and larger than 90°, and palladacycle torsion angles of −173.22 (16) and 167.06 (16)°. These deviations are attributed to the small bite angle of 79.13 (8)° of the diimine chelate. The crystal packing exhibits weak intermolecular hydrogen-bonding interactions involving aromatic H atoms, Cl atoms and intercalated methanol solvent molecules, defining layers parallel to (010).

scholarly journals Di-μ-oxido-bis({2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate

2013 ◽  
Vol 69 (11) ◽  
pp. m626-m627 ◽  
Author(s):  
Kirill V. Zaitsev ◽  
Sergey S. Karlov ◽  
Galina S. Zaitseva ◽  
Elmira Kh. Lermontova ◽  
Andrei V. Churakov
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Complex Molecules ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Solvent Molecules

In the title compound, [Ti2(C16H14N2O2)2O2]·2CHCl3, the TiIVatom in the centrosymmetric complex has a distorted octahedral N2O4coordination environment and is linkedviatwo μ2-oxido bridges into a dinuclear centrosymmetric complex, with a Ti...Ti separation of 2.7794 (8) Å. In the salen (N,N′-ethylenebis(salicylimine)) ligand, the two salicylimine units make a dihedral angle of 45.31 (5)°. The complex molecules are stacked parallel to [100], forming channels in which the solvent chloroform molecules are located. C—H...O hydrogen-bonding interactions between the complex molecules and the solvent molecules consolidate the crystal packing.

scholarly journals Bis(dimethylamine-κN)bis[4-(1,2,4-triazol-1-yl)benzoato-κO]copper(II)

IUCrData ◽  
2022 ◽  
Vol 7 (1) ◽  
Author(s):  
Lin Liu ◽  
Zheng-Bo Han
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Inversion Center ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Amine Function

In the title compound, [Cu(C9H6N3O2)2(C2H7N)2], the Cu2+ cation is situated on an inversion center and is coordinated by the N atoms of two dimethylamine ligands and the carboxylate O atoms of two 4-(1,2,4-triazol-1-yl)benzoate anions, leading to a slightly distorted square-planar N2O2 coordination environment. In the crystal, intermolecular N—H...N hydrogen bonds between the amine function and the central N atom of the triazole ring lead to the formation of ribbons parallel to [1\overline{1}1]. Weak intermolecular C—H...O hydrogen-bonding interactions are also observed that consolidate the crystal packing.

scholarly journals Crystal structure ofcatena-poly[[[aquabis(dimethylformamide-κO)magnesium(II)]-μ3-(2,2′-bipyridine-5,5′-dicarboxylato-κ5O2:O2′:N,N′:O5)-[dichloridoplatinum(II)]] dimethylformamide monosolvate]

2017 ◽  
Vol 73 (7) ◽  
pp. 971-974
Author(s):  
Fredrik Lundvall ◽  
Mats Tilset
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Van Der Waals Interactions ◽  
One Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Square Planar ◽  
Solvent Molecules ◽  
The One ◽  
Cl Atoms

The title compound, {[MgPtCl2(C12H6N2O4)(C3H7NO)2(H2O)]·C3H7NO}n, is a one-dimensional coordination polymer. The structure consists of Pt-functionalized bipyridine ligands connected by MgIIcations, as well as coordinating and non-coordinating solvent molecules. The PtIIcation is coordinated by the two N atoms of the bipyridine moiety and two Cl atoms in a square-planar fashion. This coordination induces an in-plane bend along the bipyridine backbone of approximately 10° from the linear ideal of a conjugated π-system. Likewise, the coordination to the MgIIcation induces a significant bowing of the plane of the bipyridine of about 12°, giving it a distinct curved appearance. The carboxylate groups of the bipyridine ligand exhibit moderate rotations relative to their parent pyridine rings. The MgIIcation has a fairly regular octahedral coordination polyhedron, in which three vertices are occupied by O atoms from the carboxylate groups of three different bipyridine ligands. The remaining three vertices are occupied by the O atoms of two dimethylformamide (DMF) molecules and one water molecule. The one-dimensional chains are oriented in the [01-1] direction, and non-coordinating DMF molecules can be found in the space between the chains. The shortest intermolecular O...H contacts are 2.844 (4) and 2.659 (4) Å, suggesting moderate hydrogen-bonding interactions. In addition, there is a short intermolecular Pt...Pt contact of 3.491 (1) Å, indicating a Pt stacking interaction. Some structure-directing contribution from the hydrogen bonding and Pt...Pt interaction is probable. However, the crystal packing seems to be directed primarily by van der Waals interactions.

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 Crystal structure of tris(trans-1,2-cyclohexanediamine-κ2N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data

2016 ◽  
Vol 72 (5) ◽  
pp. 671-674 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bite Angle ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
The Mean ◽  
Cl Atoms ◽  
Distorted Octahedral Coordination Environment

The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl·3H2O (chxn istrans-1,2-cyclohexanediamine; C6H14N2), has been determined from synchrotron data. The CrIIIion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment. The distorted tetrahedral [ZnCl4]2−anion, the isolated Cl−anion and three lattice water molecules remain outside the coordination sphere. The Cr—N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N—Cr—N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding interactions between the amino groups of the chxn ligands and the water molecules as donor groups, and O atoms of the water molecules, chloride anions and Cl atoms of the [ZnCl4]2−anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl4]2−anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06.

scholarly journals [1,2-Bis(diisopropylphosphanyl)ethane-κ2 P,P′](2-fluoro-N-{[(2-fluorophenyl)azanidyl]carbonyl}anilinido-κ2 N,N′)nickel(II)

IUCrData ◽  
2020 ◽  
Vol 5 (5) ◽  
Author(s):  
Marcos Flores-Alamo ◽  
Francisco J. Perez-Ortiz ◽  
Alma Arevalo ◽  
Juventino J. Garcia
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Title Complex ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Derivatives Of

The molecular structure of the title complex, [Ni(C13H8F2N2O)(C14H32P2)] or Ni(oFPU)(dippe), where oFPU is the dianion of bis(2-fluorophenyl)urea and dippe is 1,2-bis(di-isopropylphosphino)ethane, comprises an NiII atom with a distorted square-planar coordination environment (geometry index τ4 = 0.195). One of the fluorophenyl rings of the oFPU ligand is disordered over two sets of sites in an 0.832 (7):0.168 (7) ratio. The crystal structure displays C—H...O and C—H...F hydrogen-bonding interactions, leading to chains with R 2 2(12) motifs extending parallel to [100]. The title compound might be of interest with respect to the production of urea and carbamate derivatives of nickel(II).

Conformational analysis of two new organotin(IV) structures completed with a CSD survey

2021 ◽  
Vol 77 (2) ◽  
Author(s):  
Fahimeh Sabbaghi ◽  
Azam As'habi ◽  
Anahid Saneei ◽  
Mehrdad Pourayoubi ◽  
Abdul Ajees Abdul Salam ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Weak Interactions ◽  
Torsion Angles ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bond Pattern ◽  
Square Planar ◽  
Phosphoric Triamide ◽  
Structural Database ◽  
C And N ◽  
Cl Atoms

The conformational flexibilities are studied in two new organotin(IV) complexes, namely, trans-dichloridodimethylbis[N,N′,N′′-tris(2-chlorobenzyl)phosphoric triamide]tin(IV), [Sn(CH3)2(C21H21Cl3N3OP)2Cl2] or Sn(CH3)2Cl2{OP[NHCH2C6H4(2-Cl)]3}2, (I), and bis(dipropylammonium) tetrachloridodimethylstannate(IV), [(CH3CH2CH2)2NH2]2[Sn(CH3)2Cl4], (II), and their analogous structures from the Cambridge Structural Database (CSD). The conformations are considered based on the N—P=O—Sn torsion angles for (I) and the C—C—C—N, C—C—N—C, C—N—C—C and N—C—C—C torsion angles for the two symmetry-independent [CH3CH2CH2NH2CH2CH2CH3]+ cations in (II), and the ±ac±sp±ac (ac = anticlinal and sp = synperiplanar) and ±ap±ap±ap±ap (ap = antiperiplanar) conformations are observed, respectively. In both structures, the four atoms in the corners of the square-planar segment of the octahedral shape around the Sn atom participate in normal hydrogen-bonding interactions as acceptors, which include two O and two Cl atoms for (I), and four Cl atoms for (II). However, the phosphoric triamide ligands block the environment around the Sn atom and limit the hydrogen-bond pattern to form a supramolecular ribbon assembly, while in the presence of small organic cations in (II), a two-dimensional hydrogen-bonded architecture is achieved. The weak interactions π–π, C—H...π and C—Cl...π in (I), and C—H...Cl in (II) do not change the dimensionality of the hydrogen-bond pattern. The 62 CSD structures analogous to (I), i.e. with an SnOPN3 segment (including 83 entries) fall into four categories of conformations based on the N—P=O—Sn torsion angles. The 132 [(CH3CH2CH2)2NH2]+ cations from 85 CSD structures are classified into seven groups based on the torsion angles noted for (II). Most of the CSD structures adopt the same associated conformations noted for (I) and (II). 15 [Sn(CH3)2Cl4]2− anions extracted from the CSD are compared with the structure of (II).

scholarly journals Crystal structure of dimethyl 4,4′-dimethoxybiphenyl-3,3′-dicarboxylate

2016 ◽  
Vol 72 (3) ◽  
pp. 328-330 ◽  
Author(s):  
Fredrik Lundvall ◽  
Pascal D. C. Dietzel ◽  
Helmer Fjellvåg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals Forces ◽  
Torsion Angles ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Benzene Rings ◽  
Out Of Plane

In the title compound, C18H18O6, the benzene rings are coplanar due to the centrosymmetric nature of the molecule, with an inversion centre located at the midpoint of the C—C bond between the two rings. Consequently, the methyl carboxylate substituents are oriented in atransfashion with regards to the bond between the benzene rings. The methyl carboxylate and methoxy substituents are rotated slightly out of plane relative to their parent benzene rings, with dihedral and torsion angles of 18.52 (8) and −5.22 (15)°, respectively. The shortest O...H contact between neighbouring molecules is about 2.5 Å. Although some structure-directing contributions from C—H...O hydrogen-bonding interactions are possible, the crystal packing seems primarily directed by weak van der Waals forces.

scholarly journals Crystal structure of bis(1-hexyl-N,N-dimethylpyridinium) bis(maleonitriledithiolato)nickelate(II)

2016 ◽  
Vol 72 (8) ◽  
pp. 1197-1200
Author(s):  
Shan-Shan Yu ◽  
Hui Zhang
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Asymmetric Unit ◽  
Bite Angle ◽  
Compound C ◽  
Square Planar ◽  
Hydrocarbon Chains ◽  
Bidentate Chelate ◽  
Anions And Cations

The asymmetric unit of the title compound, (C13H23N2)2[Ni(C4N2S2)2], consists of a 1-hexyl-N,N-dimethylpyridinium cation and one half of a [Ni(mnt)2]2−dianion (mnt2−= maleonitriledithiolate) in which the Ni2+cation lies on a crystallographic inversion centre. The square-planar coordination about Ni2+comprises four S atoms from two bidentate chelate mnt2−ligands [Ni—S = 2.1791 (9) and 2.1810 (8) Å, and S—Ni—S bite angle = 91.93 (3)°]. The hydrocarbon chains of cations showtrans-planar conformations and lie approximately parallel to the long molecular axis of the [Ni(mnt)2]2−anions, giving stacks along thecaxis. The anions and cations form layers lying parallel to thebcplane. Only weak C—H...Ni and C—H...π associations are present in the crystal packing.

scholarly journals Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)]

2015 ◽  
Vol 71 (2) ◽  
pp. m40-m41 ◽  
Author(s):  
Giuseppe Bruno ◽  
Santo Lanza ◽  
Antonino Giannetto ◽  
Alessandro Sacca ◽  
Hadi Amiri Rudbari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Metal Complex ◽  
Dihedral Angle ◽  
Title Compound ◽  
Steric Interaction ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Benzene Rings

In the centrosymmetric dinuclear title compound, [Pd2(C4H7)2(C16H14N2S2)], the metal atom is η3-coordinated by three C atoms of a crotyl ligand [Pd—C = 2.147 (4), 2.079 (5) and 2.098 (5) Å], the longest distance influenced by the steric interaction with the benzyl substituents of the dibenzyldithiooximidate (DTO) ligand. The Pd—N and Pd—S bonds to this ligand are 2.080 (3) and 2.3148 (9) Å, respectively, completing a square-planar coordination environment for PdII. The benzyl groups are oriented so as to maximize the interaction between a benzylic H atom and an S atom, resulting in a dihedral angle of 77.1 (2)° between the benzene rings and the metal complex plane. In the crystal, no inter-complex hydrogen-bonding interactions are present.

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