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Di-chlorido-bis-[1-(2,4,6-tri-methyl-phen-yl)-1H-imidazole-?N (3)]copper(II).

ABSTRACT: In the title complex, [CuCl2(C12H14N2)2], the Cu(2+) cation is situated on an inversion centre and is coordinated by two N atoms from symmetry-related 1-mesityl-1H-imidazole ligands and by two chloride anions in a slightly distorted square-planar geometry. In the organic ligand, the dihedral angle between the benzene ring of the mesityl moiety and the imidazole ring is 76.99?(18)°. Weak intra-molecular C-H?Cl hydrogen-bonding inter-actions consolidate the mol-ecular conformation.

SUBMITTER: Zhang Y

PROVIDER: S-EPMC3884270 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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Di-chlorido-bis-[1-(2,4,6-tri-methyl-phen-yl)-1H-imidazole-κN (3)]copper(II).

Zhang Yantao Y Lin Zhuzhen Z

Acta crystallographica. Section E, Structure reports online 20131026 Pt 11

In the title complex, [CuCl2(C12H14N2)2], the Cu(2+) cation is situated on an inversion centre and is coordinated by two N atoms from symmetry-related 1-mesityl-1H-imidazole ligands and by two chloride anions in a slightly distorted square-planar geometry. In the organic ligand, the dihedral angle between the benzene ring of the mesityl moiety and the imidazole ring is 76.99 (18)°. Weak intra-molecular C-H⋯Cl hydrogen-bonding inter-actions consolidate the mol-ecular conformation. ...[more]

PMID: 24454046

Similar Datasets

catena-Poly[[bis-(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[(1-ethyl-1H-imidazole-?N)cadmium]-di-?-chlorido-[bis-(1-ethyl-1H-imidazole-?N)cadmium]].

Project description:The asymmetric unit of the crystal structure of the title compound, [Cd(2)Cl(4)(C(5)H(8)N(2))(3)](n), contains two Cd(II) cations, three 1-ethyl-1H-imidazole ligands, and four Cl(-) anions. The two Cd(II) atoms have quite different coordination environments: one is octa-hedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent Cd(II) cations are inter-connected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668?(13):0.332?(13) site-occupancy ratio.

| S-EPMC3238745 | biostudies-literature

Chlorido(1H-imidazole-?N)bis-(triphenyl-phosphane-?P)copper(I).

Project description:In the title complex, [CuCl(C(3)H(4)N(2))(C(18)H(15)P)(2)], the coordination geometry around Cu(I) is distorted tetra-hedral formed by two triphenyl-phosphane ligands, an imidazole ligand and a chloride group. An intra-molecular C-H?Cl inter-action occurs. The crystal packing is stabilized by inter-molecular N-H?Cl hydrogen bonds, which form an extended chain parallel to [010].

| S-EPMC3120300 | biostudies-literature

Crystal structure of bis-[1,3,4,5-tetra-methyl-1H-imidazole-2(3H)-thione-?S]chlorido-copper(I).

Project description:The mol-ecular structure of the title compound, [CuCl(C7H12N2S)2], shows a slightly distorted trigonal-planar coordination geometry of the Cu atom. The Cu-Cl bond measures 2.2287?(9)?Å, and the two Cu-S bonds are significantly different from each other, with values of 2.2270?(10) and 2.2662?(10)?Å. Also, the S-Cu-Cl angles differ, with values of 113.80?(4) and 124.42?(4)°, while the S-Cu-S angle is 121.51?(4)°. The two imidazole rings are almost parallel, making a dihedral angle of 2.1?(2)°. In the crystal, the shortest C-H?Cl interactions stabilize a three-dimensional network with molecules linked into centrosymmetric dimers that are stacked along the b-axis direction.

| S-EPMC4257435 | biostudies-literature

Di-?-bromido-bis-[(diethyl ether-?O)(2,4,6-tri-methyl-phen-yl)magnesium]: the mesityl Grignard reagent.

Project description:The crystal structure of the title compound, [Mg2Br2(C9H11)2(C4H10O)2], features a centrosymmetric two-centre magnesium complex with half a mol-ecule in the asymmetric unit. The Mg atom is in a considerably distorted Br2CO coordination. Bond lengths and angles are comparable with already published values. The crystal packing is stabilized by C-H?? inter-actions linking the complexes into sheets parallel to (0-11).

| S-EPMC3772445 | biostudies-literature

Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-{2-[1-(di-methyl-amino)-eth-yl]benzyl-idene}ruthenium including an unknown solvate.

Project description:The title compound, [RuCl2(C21H26N2)(C11H15N)], is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N?Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison ? parameter of 0.234, which indicates a geometry inter-mediate between square-based pyramidal and trigonal-bipyramidal. The complex shows the usual trans arrangement of the two chloride ligands, with Ru-Cl bond lengths of 2.3397?(8) and 2.3476?(8)?Å, and a Cl-Ru- Cl angle of 157.47?(3)°. The crystal structure features C-H?Cl, C-H?? and ?-? stacking inter-actions. The solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18], which indicated a solvent cavity of volume 1096?Å3 containing approximately 419 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

| S-EPMC6399687 | biostudies-literature

Chlorido-(2,2'-{[2-(1-methyl-1H-imidazol-2-yl-κN 3)imidazolidine-1,3-diyl-κN]bis-(methyl-ene)}bis-(1-methyl-1H-imidazole-κN 3))copper(II) perchlorate.

Project description:In the crystal structure of the title complex, [CuCl(C17H24N8)]ClO4, the copper(II) metal exhibits an N4Cl penta-coordinate environment in a distorted square-pyramidal geometry. Coordination to the metal centre occurs through the three 1-methyl-imidazole N atoms from the pendant groups, one amine N atom from the imidazolidine moiety and one chlorido anion. Inter-molecular inter-actions take place at two of the 1-methyl--imidazole rings in the form of parallel-displaced π-π stacking inter-actions forming chains parallel to the a axis. Three O atoms of the perchlorate anion are rotationally disordered between two orientations with occupancies of 0.5.

| S-EPMC6505613 | biostudies-literature

Aqua-bis-(1-methyl-1H-imidazole-?N)bis-(nitrato-?O)copper(II).

Project description:The title complex mol-ecule, [Cu(NO(3))(2)(C(4)H(6)N(2))(2)(H(2)O)], has crystallographically imposed twofold symmetry. The Cu(II) atom displays a distorted square-pyramidal CuN(2)O(3) coordination geometry. In the crystal, inter-molecular O-H?O hydrogen bonds between the coordinated water mol-ecule and the nitrate anions form chains parallel to the c axis.

| S-EPMC3011693 | biostudies-literature

Crystal structure of di-?-chlorido-bis-[chlorido-bis-(1,2-dimethyl-5-nitro-1H-imidazole-?N3)copper(II)] acetonitrile disolvate.

Project description:1,2-Dimethyl-5-nitro-imidazole (dimetridazole, dimet) is a compound that belongs to a class of nitro-imidazole drugs that are effective at inhibiting the activity of certain parasites and bacteria. However, there are few reports that describe structures of compounds that feature metals complexed by dimet. Therefore, we report here that dimet reacts with CuCl2·H2O to yield a chloride-bridged copper(II) dimer, [Cu2Cl4(C5H7N3O2)4] or [Cu(?-Cl)Cl(dimet)2]2. In this mol-ecule, the CuII ions are coordinated in an approximately trigonal-bipyramidal manner, and the mol-ecule lies across an inversion center. The dihedral angle between the imidazole rings in the asymmetric unit is 4.28?(7)°. Compared to metronidazole, dimetridazole lacks the hy-droxy-ethyl group, and thus cannot form inter-molecular O?H hydrogen-bonding inter-actions. Instead, [Cu(?-Cl)Cl(dimet)2]2 exhibits weak inter-molecular inter-actions between the hydrogen atoms of C-H groups and (i) oxygen in the nitro groups, and (ii) the terminal and bridging chloride ligands. The unit cell contains four disordered aceto-nitrile mol-ecules. These were modeled as providing a diffuse contribution to the overall scattering by SQUEEZE [Spek (2015 ?). Acta Cryst. C71, 9-18], which identified two voids, each with a volume of 163?Å3 and a count of 46 electrons, indicative of a total of four aceto-nitrile mol-ecules. These aceto-nitrile mol-ecules are included in the chemical formula to give the expected calculated density and F(000).

| S-EPMC5095849 | biostudies-other

Crystal structure of di-chlorido-bis-(methyl isonicotinate-κN)copper(II).

Project description:In the title compound, [CuCl2(C7H7NO2)2], the square-planar-coordinated Cu(II) ion lies on a centre of symmetry and is bonded to two monodentate methyl-isonicotinate ligands through their N atoms and by two chloride ligands. The mol-ecules pack in a herringbone pattern. Perpendicular to [100] there are weak inter-molecular C-H⋯Cl and C-H⋯O contacts. Along [100] there are infinite chains of edge-sharing octa-hedra linked through the chlorido ligands.

| S-EPMC4420097 | biostudies-literature

1,1'-[(2-Phenyl-2,3-dihydro-1H-benz-imidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole).

Project description:The imidazole ring in the title compound, C(27)H(22)N(8), adopts a slight envelope conformation with the C atom carrying the phenyl ring being the flap atom. The phenyl ring is almost perpendicular to the mean plane of the imidazole ring [dihedral angle = 88.90 (7)°]. The (1H-benzotriazol-1-yl)methyl groups bound to the imidazole ring are positioned on the same side of the imidazole ring. The dihedral angle between these benzotriazolyl rings is 17.71 (5)°. The crystal packing is stabilized by a C-H⋯π inter-action, which connects the mol-ecules into zigzag chains running along the b axis.

| S-EPMC3274994 | biostudies-literature

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