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Crystal structure and Hirshfeld surface analysis of di-chlorido-(methanol-?O)bis-(2-methyl-pyridine-?N)copper(II).

ABSTRACT: In the title complex, [CuCl2(C6H7N)2(CH3OH)], the copper atom is five-coordinated by two nitro-gen atoms of 2-methyl-pyridine ligands, two chloro ligands and an oxygen atom of the methanol mol-ecule, being in a tetra-gonal-pyramidal environment with N and Cl atoms forming the basal plane. In the crystal, complex mol-ecules related by the twofold rotation axis are joined into dimeric units by pairs of O-H?Cl hydrogen bonds. These dimeric units are assembled through C-H?Cl inter-actions into layers parallel to (001).

PROVIDER: S-EPMC7643234 | BioStudies |

REPOSITORIES: biostudies

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Crystal structure of bis-(?-4-nitro-benzoato-?2O:O')bis-[bis-(4-methyl-pyridine-?N)(4-nitro-benzoato-?2O,O')manganese(II)].

Project description:The title compound, [Mn2(C7H4NO4)4(C6H7N)4] or [Mn2(?-NBz)2(?2-NBz)2(4-Mepy)4], where NBz is 4-nitro-benzoate and 4-Mepy is 4-methyl-pyridine, is a centrosymmetric dinuclear complex in which the MnII atoms are bridged by two NBz ligands with Mn?Mn = 4.1324?(4)?Å. The MnII atom in this dimeric species is present in a distorted octa-hedral environment with the four coordinating O atoms forming the equatorial plane and the two pyridyl N atoms occupying the axial sites. An important structural feature of the dimeric complex is that each of the bridging carboxyl-ate ligands binds to the metal ions in an asymmetric fashion involving bent and linear Mn-O-C units. The crystal packing is consolidated by C-H?O and C-H?? interactions.

2016-01-01 | S-EPMC5095830 | BioStudies

Di-?-chlorido-bis-{bis-[4-(adamantan-1-ylcarbamo-yl)pyridine-?N]chlorido-copper(II)} hemihydrate.

Project description:In the centrosymmetric dimeric title compound, [Cu(2)Cl(4)(C(16)H(20)N(2)O)(4)]·0.5H(2)O, the Cu(II) atom is in a distorted trigonal-bipyramidal environment defined by two bridging Cl atoms, one terminal Cl atom and two N atoms from two monodentate 4-(adamantan-1-ylcarbamo-yl)pyridine ligands. The amine N atoms are involved in intra-molecular N-H?O and inter-molecular N-H?Cl hydrogen bonds. The latter hydrogen bonds link the complex mol-ecules into a ribbon along [010]. The uncoordinated water mol-ecule is 0.25-occupied.

2012-01-01 | S-EPMC3274881 | BioStudies

Crystal structure of {(but-3-en-1-yl)bis-[(pyridin-2-yl)meth-yl]amine-?(3) N,N',N''}di-chlorido-copper(II) diethyl ether hemisolvate.

Project description:The five-coordinate Cu(II) atom in the title complex [CuCl2(C16H19N3)]·0.5C4H10O, adopts a near-ideal square-pyramidal geometry (?-5 = 0.01). The apical Cu-Cl distance is 0.2626?(6)?Å longer than the basal Cu-Cl distance. Weak C-H?Cl interactions between pyridine rings and the Cl atoms of adjacent complex molecules are present. The solvent molecule, located on a twofold rotation axis, is situated in the voids of this arrangement. Copper atoms coordinated by tridentate nitro-gen-containing ligands have been found to be excellent promoters of Atom Transfer Radical Addition (ATRA) reactions.

| S-EPMC4350743 | BioStudies

Bis[4-chloro-2-(quinolin-8-yl-imino-meth-yl)phenolato-?(3) N,N',O]cobalt(III) trichlorido-methano-lcobaltate(II).

Project description:The reaction of 4-chloro-2-(quinolin-8-yl-imino-meth-yl)phenol (HClQP) with cobalt(II) dichloride hexa-hydrate in methanol/chloro-form under solvothermal conditions yielded the title compound, [Co(C16H10ClN2O)2][CoCl3(CH3OH)]. The Co(III) atom is six-coordinated in a slightly distorted octa-hedral geometry by four N atoms and two O atoms of two tridentate HClQP ligands, which are nearly perpendicular to each other, making a dihedral angle of 86.95°. The Co(II) atom is four-coordinated by three Cl atoms and one O atom from a methanol ligand in a distorted tetra-hedral geometry. The crystal packing is consolidated by inter-molecular O-H?Cl, C-H?Cl and C-H?O hydrogen bonds, forming a three-dimensional supra-molecular structure, in which [Co(II)Cl3(CH3OH)] anions are connected via O-H?Cl and C-H?Cl hydrogen bonds into centrosymmetric dimers. Neighboring cobalt(III) complexes form dimers through C-H?O hydrogen bonds, as well as ?-? stacking [centroid-centroid distances = 3.30?(2)?Å] between the planar quinoline systems of one HClQP ligand and the phenolate ring of another.

2013-01-01 | S-EPMC3647815 | BioStudies

Bis(?-6-meth-oxy-2-{[(3-oxidoprop-yl)imino]-meth-yl}phenolato)nickel(II) methanol monosolvate.

Project description:The mol-ecular structure of the title complex, [Ni2(C11H13NO3)2]·CH3OH, contains two Ni(II) atoms and two doubly deprotonated 6-meth-oxy-2-{[(3-oxidoprop-yl)imino]-meth-yl}phenolate ligands. The Ni(II) atoms are each four-coordinated in a distorted square-planar geometry by three O atoms and one N atom derived from the phenolate ligands. The solvent mol-ecule is linked to the complex mol-ecule by two O-H?O hydrogen bonds.

| S-EPMC3772446 | BioStudies

Dichloridobis(1,3-diisopropyl-4,5-di-methyl-1H-imidazol-3-ium-2-thiol-ate-?S)copper(II).

Project description:The mol-ecular structure of the title compound, [CuCl2(C11H20N2S)2], shows the Cu(II) atom with a distorted tetra-hedral geometry from two Cl atoms [Cu-Cl = 2.2182?(6)?Å] and two thione S atoms [Cu-S = 2.3199?(6)?Å]. The angles at the copper cation, which lies on a twofold rotation axis, are Cl-Cu-Cl = 142.84?(4)°, Cl-Cu-S = 94.80?(2) and 99.97?(2)°, and S-Cu-S = 132.46?(4)°. The planes of the two imidazolium rings make a dihedral angle of 76.92?(8)°.

| S-EPMC3629488 | BioStudies

Dichlorido{(2E)-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazinecarbo-thio-amide}cadmium(II) methanol monosolvate.

Project description:In the title compound, [CdCl2(C13H12N4S)]·CH3OH, the coord-ination geometry of the Cd(II) ion is slightly distorted square-pyramidal, as indicated by the ? index of 0.36?(8). The S atom, two N atoms from the pyridyl-azomethine moiety and one of the Cl atoms comprise the basal plane, while the other Cl atom occupies the apical position. The hydrazinecarbo-thio-amide moiety adopts an E conformation with respect to the azomethine bond. The solvate mol-ecule in the crystal lattice plays a major role in inter-connecting adjacent mol-ecules by means of O-H?Cl and N-H?O hydrogen-bonding inter-actions. A supra-molecular three-dimensional architecture is sustained in terms of further N-H?Cl and C-H?Cl hydrogen-bonding inter-actions.

| S-EPMC4158520 | BioStudies

catena-Poly[copper(II)-{?(3)-4,4'-dichloro-2,2'-[butane-1,4-diylbis(nitrilo-methanyl-yl-idene)]diphenolato-?N,O:N',O':O'}].

Project description:The asymmetric unit of the title coordination polymer, [Cu(C(18)H(16)Cl(2)N(2)O(2))](n), consists of a Schiff base complex in which the Cu(II) atom adopts a square-pyramidal coordination geometry, being coordinated by two N and two O atoms of symmetry-related ligands and by a third O atom from a complex related by an inversion center. In the structure, a crystallographic twofold rotation axis bis-ects the central C-C bonds of the n-butyl spacers of the designated Schiff base ligands, making symmetry-related dimeric units, which are twisted around Cu(II) atoms in a bis-bidentate coordination mode. In the crystal, these dimeric units are connected through the third bridging Cu-O bonds [2.3951?(13)?Å], forming one-dimensional coordination polymers, which propagate along [001]. Furthermore, inter-molecular ?-? inter-actions [centroid-centroid distance = 3.811?(1)?Å] stabilize the crystal packing.

2011-01-01 | S-EPMC3099832 | BioStudies

Crystal structure of [bis-(2-amino-ethyl-?N)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine-?N]di-chlorido-copper(II).

Project description:The Cu(II) atom in the title compound, [CuCl2(C14H21F3N4)], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn-Teller-elongated octa-hedral. It is coordinated by three N atoms from the bis-(2-amino-eth-yl)(2-{[4-(tri-fluoro-meth-yl)benzyl-idene]amino}-eth-yl)amine and two chloride ligands. The two crystallographically unique copper complexes present in the asymmetric unit exhibit noticeable differences in the coordination bond lengths. Considering the Cu(II) atoms as having square-pyramidal geometry, the basal Cu-Cl bond lengths are typical [2.2701?(12) and 2.2777?(12)?Å], while the apical distances are considerably elongated [2.8505?(12) and 2.9415?(12)?Å]. For each mol-ecule, a Cu(II) atom from inversion-related mol-ecules are in nearby proximity to the remaining axial Cu(II) sites, but the Cu?Cl distances are very long [3.4056?(12) and 3.1645?(12)?Å], attributable to van der Waals contacts. Nonetheless, these contacts appear to have some structure-directing properties, leading to association into dimers. These dimers associate via stacking of the aromatic rings to form extended zigzag chains.

| S-EPMC4704757 | BioStudies

Chlorido[2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idyne)]diphenolato-?(4) O,N,N',O']manganese(III) methanol monosolvate.

Project description:In the title complex, [Mn(C20H14N2O2)Cl]·CH3OH, the central Mn(III) atom displays a distorted square-pyramidal coordination by two N and two O atoms from the tetradentate 2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idyne)]diphenolate ligand and one chloride ligand. The Mn(III) atom is 0.525?(4)?Å out of the square basal N2O2 least-squares plane. The complex mol-ecule is hydrogen bonded to the methanol solvent mol-ecule.

| S-EPMC3772432 | BioStudies

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