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{(E)-2-Bromo-4-chloro-6-[3-(dimethyl-ammonio)propyl-imino-meth-yl]-phenol-ato}-dichloridozinc(II).

ABSTRACT: The title compound, [ZnCl(2)(C(12)H(16)BrClN(2)O)], is a mononuclear zinc(II) complex. The Zn(II) atom is four-coordinate in a tetra-hedral geometry, binding to the phenolate O and imine N atoms of the zwitterionic Schiff base ligand and to two Cl(-) ions. In the crystal structure, mol-ecules are linked through inter-molecular N-H?Cl hydrogen bonds to form chains running along the a axis.

SUBMITTER: Ye LJ

PROVIDER: S-EPMC2961892 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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{(E)-2-Bromo-4-chloro-6-[3-(dimethyl-ammonio)propyl-imino-meth-yl]-phenol-ato}-dichloridozinc(II).

Ye Li-Juan LJ You Zhonglu Z

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

The title compound, [ZnCl(2)(C(12)H(16)BrClN(2)O)], is a mononuclear zinc(II) complex. The Zn(II) atom is four-coordinate in a tetra-hedral geometry, binding to the phenolate O and imine N atoms of the zwitterionic Schiff base ligand and to two Cl(-) ions. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯Cl hydrogen bonds to form chains running along the a axis. ...[more]

PMID: 21202743

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Redetermination of {2-[3-(dimethyl-ammonio)propyl-imino-meth-yl]phenol-ato}-dithio-cyanato-zinc(II).

Project description:In comparison with the previous refinement of the title complex, [Zn(NCS)(2)(C(12)H(18)N(2)O)], the present redetermination reveals a different location of the non-carbon attached H atom. Whereas in the previous refinement this H atom was modelled as part of a phenol OH group, the present study indicates a zwitterionic Schiff base ligand with a deprotonated OH group and a protonated tertiary amine group. The Zn(II) atom is four-coordinated by one O and one imine N atoms of the 2-[3-(dimethyl-ammonio)propyl-imino-meth-yl]phenolate Schiff base ligand, and by two N atoms from two thio-cyanate ligands, forming a distorted tetra-hedral geometry. In the crystal structure, adjacent mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming a chain in the [101] direction.

| S-EPMC2969054 | biostudies-literature

2-Benzyl-imino-meth-yl-6-bromo-4-chloro-phenol.

Project description:The title mol-ecule, C(14)H(11)BrClNO, adopts a trans configuration with respect to the C=N double bond. The dihedral angle between the two aromatic rings is 70.4 (5)°. An intra-molecular O-H⋯N hydrogen bond is observed between the hydroxyl and imine groups.

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Dichlorido{2-[3-(dimethyl-ammonio)-propyl-imino-meth-yl]phenolato}zinc(II) hemihydrate.

Project description:The title complex, [ZnCl(2)(C(12)H(18)N(2)O)]·0.5H(2)O, is a mononuclear zinc(II) compound derived from the zwitterionic form of the Schiff base 2-[3-(dimethyl-amino)propyl-imino-meth-yl]-phenol. The Zn(II) atom is four-coordinated by the imine N and the phenolate O atoms of the Schiff base ligand, and by two chloride ions, in a distorted tetra-hedral coordination geometry. The dimethyl-ammonio group is disordered over two positions with site occupancies of 0.51 (3) and 0.49 (3). In the asymmetric unit, there is also a disordered water mol-ecule with a partial occupancy of 0.5. In the crystal structure, the water mol-ecules are linked to the Schiff base complex mol-ecules through inter-molecular N-H⋯O hydrogen bonds. Mol-ecules are further linked through additional inter-molecular N-H⋯O hydrogen bonds, forming chains running along the b axis.

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2-Bromo-4-chloro-6-[(E)-(2-chloro-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(13)H(8)BrCl(2)NO, was obtained by reaction of 3-bromo-5-chloro-salicylaldehyde and 2-chloro-benzenamine in methanol. The mol-ecule displays an E configuration with respect to the imine C=N double bond. The dihedral angle between the two benzene rings is 4.57 (11)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O hydrogen-bonding inter-actions into zigzag chains running parallel to the b axis. Inter-molecular Br⋯Cl [3.5289 (11) Å] and Cl⋯Cl [3.5042 (12) Å] inter-actions are present.

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4-Bromo-2-[(E)-(4-chloro-phen-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(13)H(9)BrClNO, the dihedral angle between the substituted benzene rings is 43.90 (11)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The crystal structure features short intemolecular Br⋯Br [3.554 (2) Å] and Cl⋯Cl [3.412 (2) Å] contacts. The crystal packing is further stabilized by inter-molecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3052075 | biostudies-literature

4-Bromo-2-{(E)-[(3,4-dimethyl-phen-yl)imino]-meth-yl}phenol.

Project description:In the title compound, C(15)H(14)BrNO, the dihedral angle between the aromatic rings is 4.10 (11)° and the mol-ecule is close to planar (r.m.s. deviation for the non-H atoms = 0.053 Å). An intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, very weak C-H⋯π inter-actions are observed.

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2-Bromo-4-chloro-6-(cyclo-pentyl-imino-meth-yl)phenol.

Project description:All atoms of the title mol-ecule, C(12)H(13)BrClNO, except the C and H atoms of the cyclo-pentane methyl-ene groups lie on a crystallographic mirror plane. The cyclo-pentane ring adopts an envelope conformation and an intra-molecular O-H?N hydrogen bond is observed. In the crystal, mol-ecules are stacked along the b axis by ?-? inter-actions [centroid-centroid distance = 3.6424?(11)?Å].

| S-EPMC2971220 | biostudies-literature

2-Bromo-4-chloro-6-(cyclo-hexyl-imino-meth-yl)phenol.

Project description:The title compound, C(13)H(15)BrClNO, was prepared by the condensation of equimolar quanti-ties of 3-bromo-5-chloro-salicyl-aldehyde with cyclo-hexyl-amine in methanol. There is an intra-molecular O-H⋯N hydrogen bond in the mol-ecule. The cyclo-hexyl ring adopts a chair conformation.

| S-EPMC3238823 | biostudies-literature

2-Bromo-4-chloro-6-[(2,6-diisopropyl-phen-yl)imino-meth-yl]phenol.

Project description:There are two molecules in the asymmetric unit of the title compound, C(19)H(21)BrClNO, with dihedral angles between the aromatic rings of 70.0 (2) and 81.9 (3)°. The crystal structure is stabilized by inter-molecular C-H⋯π and C-Br⋯π inter-actions. In additional, the stacked mol-ecules exhibit intra-molecular O-H⋯N hydrogen bonds.

| S-EPMC2959941 | biostudies-literature

{4-Bromo-2-[3-(diethyl-ammonio)propyl-imino-meth-yl]phenolato}diiodidozinc(II) methanol solvate.

Project description:In the title complex, [ZnI(2)(C(14)H(21)BrN(2)O)]·CH(3)OH, the asymmetric unit consists of a mononuclear zinc(II) complex mol-ecule and a methanol solvent mol-ecule. The compound was derived from the zwitterionic form of the Schiff base 4-bromo-2-[3-(diethyl-amino)propyl-imino-meth-yl]phenol. The Zn(II) atom is four-coordinated by the imine N and phenolate O atoms of the Schiff base ligand and by two iodide ions in a distorted tetra-hedral coordination. In the crystal structure, the methanol mol-ecules are linked to the Schiff base mol-ecules through N-H?O and O-H?O hydrogen bonds. One I atom is disordered over two positions in a 0.702?(19):0.298?(19) ratio.

| S-EPMC2971364 | biostudies-literature

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