Structure of chloro{N-[2-(4-imidazolyl)ethyl]salicylideneaminato}copper(II) monohydrate (original) (raw)
Related papers
Structure of catena-bis[4-(2-aminoethyl)imidazole-N3,N8]-μ-chloro-copper(II) chloride dihydrate
Acta Crystallographica Section C-crystal Structure Communications - ACTA CRYSTALLOGR C-CRYST STR, 1987
The distortion of the square pyramid is also important, but less severe than that of the trigonal bipyramid. The four basal atoms N(1), N(2), Br(1) and Br(2) deviate strongly from coplanarity by 0.240, -0.247, -0-183 and 0.190 A, respectively, while the Cu atom deviates from this plane by 0.252 A in the direction of the apical Br atom. The dihedral angle between the unweighted mean planes N(1)-Cu-N(2) and Br(1)-Cu-Br(2) is 24.9 °, thus indicating a distortion towards tetrahedrality, which is quite common in '4 + 1' complexes. The distances and angles of the di-2-pyridylmethane ligand are comparable with those found by us for chloro(di-2-pyridylmethane)-(di-2-pyridylmethanol)copper(II) perchlorate (Garland, Le Marouille, Spodine & Manzur, 1986).
Inorganic Chemistry, 1988
The synthesis and spectroscopic properties of copper complexes with the ligands 1,6-bi~(5-methyl-4~imidazolyl)-2,5-dithiahexane (abbreviated bidhx) and 1,6-bis(4-imidazolyl)-2,5-dithiahexane (abbreviated bhdhx) are described. The compound [Cu-(bhdhx)CI]BF, (A) crystallizes in the triclinic space group Pi with a = 10.066 (3) A, b = 8.253 (2) A, c = 11.864 (3) A, a = 104.85 (2)O, , 9 = 100.46 (3)O, y = 114.72 (2)O, V = 817.16 A), and Dx = 1.79 g/cm3 for Z = 2. The compound [Cu(bidhx)-Cl(BF,)] (B) crystallizes in the monoclinic space group P2Jn with a = 13.975 (5) A, b = 8.347 (3) A, c = 17.156 (6) A, ( 3 = 116.34 (2)O, V = 1793.42 A', and Dx = 1.73 g/cm' for Z = 4. The compound [Cu(bidhx)(NCS)(N03)] (C) crystallizes in the monoclidic space group PZl/n with u = 9.641 (2) A, b = 8.040 (3) A, c = 25.480 (6) A, j 3 = 92.56 (2)O, V = 1973.1 A3, and Dx = 1.569 g/cm3 for Z = 4. The structures were solved by heavy-atom techniques and refined by least-squares methods to rqidual R, values of 0.039 (A), 0.033 (B), and 0.053 (C). The coordination geometry of the copper ion in compound A is compressed trigonal bipyramidal, with the two imidazole nitrogens along the main axis at 1.94 and 1.96 A and the chloride anion and the two thioether sulfur atoms at longer distances in the equatorial plane (CuC1 = 2.27, Cu-S = 2.53 and 2.49 A). The cop r ion chloride anion (at 2.30 A), and one thioether sulfur (at 2.44 A) in the pquatorial plane and one thioether sulfur and a fluorine of the tetrafluoroborate anion in the axial positions at 2.75 and 2.59 A, respectively. The only difference in composition between compounds A and B is the presence of a methyl group at position 4 of the imidazole moieties of the bidhx ligand. This small difference apparently causes the drastic change in coordination geometry for A and B. The copper ion in compound C is also in an elongated octahedral environment, with the two trans imidazole nitrogens (at 1.97 A), one thioether sulfur (at 2.37 A), and one thiocyanate nitrogen (at 1.97 A) coordinating in the equatorial plane; one thioether sulfur and the nitrate ion are at long semicoordinating distances on the axial positions (Cu-S = 2.75, Cu-0 = 2.70 A). Introducing a stronger coordinating anion, like NCS (compound C), causes only a small change in coordination geometry. The different structures can be understood on the basis of the coordination plasticity of the Cu(I1) ion.
Journal of Molecular Structure, 2012
ABSTRACT Copper(II) complex with imidazole, [Cu(ImH)4Cl]Cl, was prepared and characterized by a single crystal X-ray analysis and infrared spectroscopy. This complex is one of the two polymorphic forms of the title compound. The crystal and molecular structures, and the patterns of intermolecular hydrogen bonding in two polymorphs have been compared and discussed. The two forms crystallize in the same monoclinic space group (P21/n) with different unit cell parameters. The detailed assignments of the FT-IR spectra of the title complex have been made on the basis of theoretical studies of the [Cu(ImH)4Cl]+ cation using the unrestricted B3LYP method and the combined basis set: 6-311++G(3df,3pd) for non-metal atoms and LanL2DZ for Cu. The bands at 285, 259 and 229 cm−1 in the IR spectrum are assigned to the CuN(imidazole) stretching vibrations.
Inorg Chim Acta, 1988
The synthesis and spectroscopic properties of the cobalt, nickel, copper and zinc chlorides of the ligands 1,6-bis(5-methyl-4-imidazolyl)-2,5-dithiahexane (abbreviated bidhx) and 1,6-bis(4(5)imidazolyl)2,5-dithiahexane (abbreviated bhdhx) are described. The compound Cu(bidhx)C12 (A) crystallizes in the orthorhombic space group Pbcu with a = 17.917(2), b = 14.502(4), c = 12.905(2) A, Y= 3353.15 A3, D,= 1.651 g/cm3 for Z= 8. The compound [Cu(bidhx)C1]C1*2Hz0 (B) crystallizes in the triclinic space group P-l with a = 8.270(5), b = 10.890(5), c = 11.478(5) A, QL = 87.52(4)', fl= 76.93(5)", 7 = 71.52(4)", I/= 954.5 A3, D, = 1.576 g/cm3 for Z= 2. Both structures were solved by heavy atom techniques and refined by least-squares methods to residual R, values of 0.037 (A) and 0. . The coordination geometry of the copper ion in compound A is a compressed octahedron with the two imidazole nitrogens along the main axis at 1.94 and 1.95 A, and both chloride anions and the two thioether sulfur atoms at relatively large distances in the equatorial plane (Cu-Cl 2.39 and 2.56 A, Cu-S 2.62 and 2.81 A). The copper ion in compound B is in a distorted trigonal bipyramid, formed by the two imidazole nitrogen atoms in the axial position (1.94 and 1.95 A), and the two thioether sulfurs and one chloride ion in the equatorial plane (Cu.-S 2.53 and 2.46 A, Cu-Cl 2.29 A). The nickel and cobalt bidhx chlorides and the copper and nickel bhdhx chlorides are isostructural with compound A.
Acta crystallographica. Section C, Crystal structure communications, 2013
Two copper complex solvatomorphs, namely (3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κO)copper(II) 1.2-hydrate, [Cu(ClO4)2(C18H40N4)]·1.2H2O, (I), and (3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κO)copper(II), [Cu(ClO4)2(C18H40N4)], (II), are described and compared with each other and with a third, already reported, anhydrous diastereomer, denoted (III). Both compounds present very similar centrosymmetic coordination environments, with the Cu(II) cation lying on an inversion centre in a distorted 4+2 octahedral environment, defined by the macrocyclic N4 group in the equatorial sites and two perchlorate groups in trans-axial positions [one of the perchlorate ligands in (I) is partially disordered]. The most significant difference in molecular shape is seen in the orientation of the perchlorate anions, and the influence of this on the intramolecular hydrogen bonding is discussed. The (p...
Acta Crystallographica Section E Crystallographic Communications
Two CuII complexes [Cu(C14H13N4O2)Cl] n , I, and [Cu4(C8H10NO2)4Cl4] n , II, have been synthesized. In the structure of the mononuclear complex I, each ligand is coordinated to two metal centers. The basal plane around the CuII cation is formed by one chloride anion, one oxygen atom, one imino and one pyridine nitrogen atom. The apical position of the distorted square-pyramidal geometry is occupied by a pyridine nitrogen atom from a neighbouring unit, leading to infinite one-dimensional polymeric chains along the b-axis direction. Each chain is connected to adjacent chains by intermolecular C—H...O and C—H...Cl interactions, leading to a three-dimensional network structure. The tetranuclear complex II lies about a crystallographic inversion centre and has one core in which two CuII metal centers are mutually interconnected via two enolato oxygen atoms while the other two CuII cations are linked by a chloride anion and an enolato oxygen. An open-cube structure is generated in which t...