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4,4'-[2,2-Dimethyl-propane-1,3-diyl-bis(nitrilo-methyl-idyne)]dibenzonitrile.

ABSTRACT: The title compound, C(21)H(20)N(4), is a bidentate Schiff base ligand. An intra-molecular C-H?N hydrogen bond forms a five-membered ring, producing an S(5) ring motif. The cyano and imino [-C(H(2))-N=C-] functional groups are coplanar with the benzene ring in each half of the mol-ecule. The packing of the mol-ecules is controlled by C-H?? and ?-? inter-actions [centroid-to-centroid distance = 3.6944?(8)?Å].

SUBMITTER: Fun HK

PROVIDER: S-EPMC2961864 | biostudies-other | 2008 Jun

REPOSITORIES: biostudies-other

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4,4'-[2,2-Dimethyl-propane-1,3-diyl-bis(nitrilo-methyl-idyne)]dibenzonitrile.

Fun Hoong-Kun HK Kargar Hadi H Kia Reza R

Acta crystallographica. Section E, Structure reports online 20080619 Pt 7

The title compound, C(21)H(20)N(4), is a bidentate Schiff base ligand. An intra-molecular C-H⋯N hydrogen bond forms a five-membered ring, producing an S(5) ring motif. The cyano and imino [-C(H(2))-N=C-] functional groups are coplanar with the benzene ring in each half of the mol-ecule. The packing of the mol-ecules is controlled by C-H⋯π and π-π inter-actions [centroid-to-centroid distance = 3.6944 (8) Å]. ...[more]

PMID: 21202936

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{4,4'-Dibromo-2,2'-[propane-1,3-diyl-bis(nitrilo-methyl-idyne)]diphenolato}zinc(II).

Project description:The title mononuclear zinc(II) complex, [Zn(C(17)H(14)Br(2)N(2)O(2))], possesses a crystallographically imposed C(2) axis. The Zn atom is four-coordinated by two O and two N atoms from two Schiff base ligands, forming a severely distorted square-planar geometry. The central C atom of the propyl group is disordered over two positions about the twofold axis.

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4,4'-Dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The crystal of the title Schiff base compound, C(19)H(20)Cl(2)N(2)O(2), contains of two crystallographically independent mol-ecules with similar conformations. In each mol-ecule, two intramolecular O-H⋯N bonds generate S(6) motifs. The N atoms are also in close proximity to two H atoms of the dimethyl-propane groups, with H⋯N distances between 2.59 and 2.62 Å. The imine group is coplanar with the benzene ring. The dihedral angles between the benzene rings in the two independent mol-ecules are 58.20 (12) and 47.95 (12)°. The structure displays short inter-molecular Cl⋯Cl [3.3869 (11) Å] and Cl⋯O [3.175 (2)-3.204 (2) Å] inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances 3.6416 (13)-3.8705 (14) Å] inter-actions.

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Project description:The mol-ecule of the title compound, C(17)H(18)N(2)O(6), adopts a V-shaped conformation, the dihedral angle between the two halves of the mol-ecule being 81.31?(4) °. There is one half-mol-ecule in the asymmetric unit, with a crystallographic twofold rotation axis passing through the central C atom. There are strong intra-molecular O-H?N and O-H?O hydrogen bonds involving the hydr-oxy group and adjacent O and N atoms. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming an infinite three-dimensional supra-molecular structure.

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{4,4'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

Project description:In the title complex, [Ni(C(21)H(24)N(2)O(4))], the Ni(II) ion has a slightly distorted square-planar geometry, coordinated by the two N and two O atoms of a new tetra-dentate Schiff base ligand. The dihedral angle between the planes of the two NiNC(3)O chelate rings is 14.37?(12)°.

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Project description:In the structure of the title compound, [Mo(C(19)H(20)N(2)O(2))O(2)], the Mo atom exhibits oxidation state +VI and is surrounded by two O atoms and the tetra-dentate Schiff base ligand 2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolate in a distorted octa-hedral configuration. An intra-molecular C-H⋯O hydrogen bond between a methyl-ene group and one O atom of the O=Mo(VI)=O unit, as well as additional inter-molecular hydrogen bonds between neighboring mol-ecules, lead to a weakly bonded inversion-symmetric dimeric structure.

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6,6'-Dieth-oxy-2,2'-[propane-1,2-diyl-bis(nitrilo-methyl-idyne)]diphenol.

Project description:In the title mol-ecule, C(21)H(26)N(2)O(4), the dihedral angle between the two benzene rings is 88.4?(3)°. Two fairly strong intra-molecular O-H?N hydrogen bonds may, in part, influence the mol-ecular conformation.

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{4,4'-Dibromo-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}copper(II).

Project description:In the title compound, [Cu(C(19)H(18)Br(2)N(2)O(2))], the Cu(II) ion is in a tetra-hedrally distorted planar geometry, involving two N and two O atoms from the tetra-dentate Schiff base ligand. Inter-molecular C-H⋯O hydrogen bonds form an eight-membered R(2) (2)(8) motif. The dihedral angle betwen two benzene rings is 36.34 (9)°. There are inter-molecular Cu⋯Br [3.4566 (5) Å] and Cu⋯·N [3.569 (3) Å] contacts, which are significantly shorter than the sum of van der Waals radii of the relevant atoms. These inter-actions, along with the inter-molecular C-H⋯π and π-π [centroid-centroid distances of 3.709 (1) and 3.968 (2) Å] inter-actions, link neighbouring mol-ecules into a one-dimensional infinite chain along the c axis.

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4,4'-[Propane-1,2-diyl-bis(nitrilo-methyl-idyne)]-dibenzo-nitrile-4,4'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]dibenzonitrile [0.796 (2)/0.204 (2)].

Project description:The title cocrystal, 0.796C(19)H(16)N(4)·0.204C(18)H(14)N(4), is a disordered mixture of two potentially bidentate Schiff base ligands. The difference in the two components of the cocrystal is the replacement of the methyl group in the linkage between the imine N atoms in the major component of the Schiff base ligand by an H atom. The imino (C=N) functional groups are coplanar with the benzene rings (only the major component) and extend in opposite directions (both components). Inter-molecular π-π inter-actions with a centroid-to-centroid distance of 3.7371 (8) Å are observed in the crystal packing.

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6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), exhibits two crystallographically independent mol-ecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are -0.037 (4), 0.013 (4), -0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two mol-ecules are 53.64 (17) and 51.93 (17)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethyl-propane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds, weak inter-molecular C-H⋯π inter-actions and π-π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

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