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Chlorido{4,4',6,6'-tetra-tert-butyl-2,2'-[o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-?O,N,N',O'}manganese(III).

ABSTRACT: The asymmetric unit of the title Schiff base complex, [Mn(C(36)H(46)N(2)O(2))Cl], comprises two crystallographically independent mol-ecules. The Mn(III) centre in each mol-ecule adopts a distorted square-pyramidal geometry. Each Mn(III) ion is coordinated by the N(2)O(2) atoms of the tetra-dentate Schiff base ligand forming the basal plane and the coordinated chloride anion occupies the apical position. Four bifurcated intra-molecular C-H?O contacts stabilize the mol-ecular structure. In the crystal packing, mol-ecules are linked into dimers via inter-molecular C-H?Cl contacts and further stabilized by C-H?? inter-actions. The crystal studied was a non-merohedral twin, the refined ratio of the twin components being 0.441?(1):0.559?(1).

SUBMITTER: Eltayeb NE

PROVIDER: S-EPMC2971881 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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Chlorido{4,4',6,6'-tetra-tert-butyl-2,2'-[o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}manganese(III).

Eltayeb Naser Eltaher NE Teoh Siang Guan SG Yeap Chin Sing CS Fun Hoong-Kun HK Adnan Rohana R

Acta crystallographica. Section E, Structure reports online 20091128 Pt 12

The asymmetric unit of the title Schiff base complex, [Mn(C(36)H(46)N(2)O(2))Cl], comprises two crystallographically independent mol-ecules. The Mn(III) centre in each mol-ecule adopts a distorted square-pyramidal geometry. Each Mn(III) ion is coordinated by the N(2)O(2) atoms of the tetra-dentate Schiff base ligand forming the basal plane and the coordinated chloride anion occupies the apical position. Four bifurcated intra-molecular C-H⋯O contacts stabilize the mol-ecular structure. In the cry ...[more]

PMID: 21578697

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The cocrystal aqua-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}-manganese(III)-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}(methanol-κO)manganese(III) (1/1).

Project description:The asymmetric unit of the title complex, [Mn(C(28)H(30)N(2)O(2))Cl(H(2)O)][Mn(C(28)H(30)N(2)O(2))Cl(CH(3)OH)], contains two discrete Mn(III) complexes of a Schiff base ligand, with an N(2)O(2) donor set. Both Mn(III) centers are in a distorted octa-hedral geometry with the N(2)O(2) donor atoms of the tetra-dentate Schiff base dianion in the equatorial plane. The axial positions in the coordination environment of one Mn(III) complex are occupied by a chloride ion and a water mol-ecule, but a methanol mol-ecule replaces the water mol-ecule in the other complex. The coordinated water mol-ecule takes part in an O-H⋯Cl hydrogen bond between the two Mn(III) complexes. In the crystal structure, O-H⋯Cl hydrogen bonds link the mol-ecules into infinite one-dimensional chains along the [100] direction. The crystal structure is stabilized by O-H⋯Cl hydrogen bonds together with weak C-H⋯O and C-H⋯Cl inter-actions. A C-H⋯π inter-action is also observed in the crystal structure.

| S-EPMC2961111 | biostudies-literature

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Project description:In the title complex, [Mn(C(22)H(18)N(2)O(2))Cl], the Mn(III) center is in a distorted square-pyramidal configuration; the basal plane is formed by the N(2)O(2) donors of the tetra-dentate Schiff base dianion, with the two phenol O atoms and two imine N atoms each mutually cis. The chloride ion occupies the apical coordination site. The dihedral angle between the two outer phenolate rings of the tetra-dentate ligand is 18.24 (9)°. The central benzene ring makes dihedral angles of 13.71 (8) and 30.50 (8)° with the two outer phenolate rings. In the crystal structure, weak C-H⋯Cl inter-actions link the mol-ecules into screw helices along the b direction. These helices are further connected by weak C-H⋯O inter-actions into a three-dimensional network. The crystal structure is further stabilized by C-H⋯π inter-actions involving the central benzene ring.

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{6,6'-Dibromo-4,4'-dichloro-2,2'-[o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

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