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Crystal structure of 1,2-bis-(2,6-di-methyl-phen-yl)-3-phenyl-guanidine.

ABSTRACT: In the title compound, C23H25N3, the dihedral angles between the planes of the benzene ring and the two substituent di-methyl-phenyl rings are 60.94 (7)° and 88.08 (7)°, and the dihedral angle between the planes of the two di-methyl-phenyl rings is 58.01 (7)°. In the crystal, weak C-H⋯N inter-actions exist between adjacent mol-ecules. One of the di-methyl-phenyl rings has a small amount of π-π overlap with the phenyl ring of an adjacent mol-ecule [centroid-to-centroid distance = 3.9631 (12) Å].

SUBMITTER: Han H

PROVIDER: S-EPMC4518950 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-[2,6-Bis(propan-2-yl)phen-yl]-1,3-di-cyclo-hexyl-guanidine.

Project description:In the title asymmetric di-cyclo-hexyl-phenyl-guanidine, C25H41N3, the central guanidine C atom deviates by only 0.004?(2)?Å from the central plane defined by the three N atoms. The benzene and the cyclo-hexyl rings are rotated out of the central plane of the N3C unit by 85.63?(12)° (benzene) and 51.52?(9) and 49.37?(12)° (cyclohexyl). The crystal packing features only by van der Waals inter-actions.

| S-EPMC4120537 | biostudies-literature

Crystal structure of (E)-1,2-bis-(4-bromo-2,6-di-fluoro-phen-yl)diazene.

Project description:In the crystal, mol-ecules of the centrosymmetric title compound, C12H4Br2F4N2, are linked into strands along [011] by weak C-H⋯F contacts. Furthermore, the mol-ecules are π-π stacked with perpendicular ring distances of 3.4530 (9) Å.

| S-EPMC4518941 | biostudies-literature

Crystal structure of [N,N'-bis-(4-methyl-phen-yl)-1,2-di-phenyl-ethane-1,2-di-imine-κ(2) N,N']di-chlorido-palladium(II) methanol monosolvate.

Project description:The title compound, [PdCl2(C28H24N2)]·CH3OH, was pre-pared from the reaction of PdCl2(DMSO)2 (DMSO is di-methyl sulfoxide) and N,N'-bis-(4-methyl-phen-yl)-1,2-di-phenyl-ethane-1,2-di-imine in methanol. The chelating di-imine core of the title compound deviates slightly from planarity, with an N-C-C-N torsion angle of 5.3 (3)°. Delocalization in the di-imine core is indicated by N-C and C-C bonds that are, respectively, longer and shorter than those found in related nonchelating di-imines. The distorted square-planar coordination environment around the Pd(II) atom 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 di-imine chelate. The crystal packing exhibits weak inter-molecular hydrogen-bonding inter-actions involving aromatic H atoms, Cl atoms and inter-calated methanol solvent mol-ecules, defining layers parallel to (010).

| S-EPMC4555432 | biostudies-literature

Crystal structure of 2,6-bis-(2,5-di-meth-oxy-phen-yl)-3,5-di-methyl-piperidin-4-one.

Project description:In the title mol-ecule, C23H29NO5, the central piperidine ring has a chair conformation. The planes of the two benzene rings are inclined each to other at 61.7?(1)°. The crystal packing exhibits no directional inter-actions only van der Waals contacts.

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Crystal structure of 2,3-bis-[(4-tert-butyl-2,6-di-methyl-phen-yl)imino]-butane.

Project description:The title compound, C28H40N2, was obtained from the condensation reaction of 4-tert-butyl-2,6-di-methyl-aniline and butane-2,3-dione. The mol-ecule lies on an inversion centre. The C=N bond has an E conformation. The plane of the benzene ring is almost perpendicular to the 1,4-di-aza-butadiene mean plane [dihedral angle = 89.8 (9)°].

| S-EPMC4438850 | biostudies-literature

Crystal structure of 2,6-bis-(2-hy-droxy-5-methyl-phen-yl)-4-phenyl-pyridinium bromide di-chloro-methane hemisolvate hemihydrate.

Project description:The asymmetric unit in the structure of the title compound, C25H22NO2 (+)·Br (-)·0.5CH2Cl2·0.5H2O, comprises two pseudosymmetry-related cations, two bromide anions, a di-chloro-methane molecule and a water mol-ecule of solvation. The two independent cations are conformationally similar with the comparative dihedral angles between the central pyridine ring and the three benzene substituent rings being 3.0?(2), 36.4?(1) and 24.2?(1)°, and 3.7?(2), 36.5?(1) and 24.8?(1)°, respectively. In the crystal, the cations, anions and water mol-ecules are linked through O-H?O and O-H?Br hydrogen bonds, forming an insular unit. Within the cations there are also intra-molecular N-H?O hydrogen bonds. Adjacent centrosymmetrically related aggregates are linked by ?-? stacking inter-actions between the pyridine ring and a benzene ring in both cations [ring-centroid separations = 3.525?(3) and 3.668?(3)?Å], forming chains extending across the ac diagonal. Voids between these chains are filled by dichloromethane molecules.

| S-EPMC4719919 | biostudies-literature

Crystal structure of di-μ-hydroxido-bis{[N,N'-bis-(2,6-di-methyl-phen-yl)pentane-2,4-diiminato(1-)]zinc}.

Project description:The title compound, [Zn2(C21H25N2)2(OH)2], is a binuclear zinc complex formed by two bidentate β-diketiminate (nacnac) ligands and two μ-hydroxide O atoms, bridging two mononuclear units into a centrosymmetric dimeric unit. Each Zn(2+) cation is coordinated by two N-donor atoms from the nacnac ligand and two O-donor atoms of hydroxide anions to give a distorted tetra-hedral coordination environment. The Zn-O bond lengths are 1.9643 (13) and 2.0022 (14) Å, and the two Zn-N bond lengths are 1.9696 (14) and 1.9823 (14) Å. The distance between the two Zn(2+) cations in the dimer is 2.9420 (4) Å. Although hydroxide groups are present in the complex, no classical hydrogen-bonding inter-ations are observed because of the bulky β-diketiminate ligands.

| S-EPMC4186180 | biostudies-literature

Crystal structure of 4,4'-(ethane-1,2-di-yl)bis-(2,6-di-bromo-aniline).

Project description:In the title compound, C14H12Br4N2, the mol-ecule lies across an inversion center and hence the benzene rings are strictly coplanar. In the crystal, mol-ecules are linked by N-H⋯N and weak N-H⋯Br hydrogen bonds, forming a two-dimensional network parallel to (101). In addition, type II Br⋯Br inter-actions [3.625 (4) Å] complete a three-dimensional supra-molecular network.

| S-EPMC4331912 | biostudies-literature

Crystal structure of {3-[3,5-bis-(2,6-di-methyl-phen-yl)-1,2-phenyl-ene]-1-(2,6,2'',6''-tetra-methyl-1,1':3',1''-ter-phen-yl-5'-yl)imidazol-2-yl-idene}chlorido-(?(6)-p-cymene)ruthenium(II) benzene disolvate.

Project description:The title compound, [Ru(C47H43N2)Cl(C10H14)]·2C6H6, crystallized with two independent mol-ecules of benzene. One of the N-aryl moieties of the N-heterocyclic carbene (NHC) ligand underwent cyclo-metallation to form a five-membered ruthenacycle. The complex has a three-legged piano-stool structure with two C atoms incorporated in the five-membered ruthenacycle and a Cl atom as legs. The ruthenacycle is essentially coplanar with the imidazole ring of the NHC ligand, making a dihedral angle of 0.85?(8)°.

| S-EPMC4257382 | biostudies-literature

(3-{[2,6-Bis(1-methyl-eth-yl)phen-yl]imino-?N}-1-phenyl-but-1-en-1-olato-?O)-di-methyl-aluminium.

Project description:The mol-ecular structure of the title compound, [Al(CH(3))(2)(C(22)H(26)NO)], displays a monomer with the Al(III) atom in a distorted tetra-hedral environment defined by two methyl groups and the N and O atoms of the chelating ketiminate anion. The O-Al-N bite angle of the chelating ligand is 94.14?(9)°. The O-C-C-C-N backbone of the ligand is nearly coplanar (r.m.s. deviation = 0.029?Å) and the Al atom deviates significantly from the mean plane by 0.525?(3)?Å. In the crystal, weak inter-molecular C-H?O inter-actions are observed.

| S-EPMC3343778 | biostudies-literature

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