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4,4'-[Propane-1,3-diylbis(nitrilo-methyl-idyne)]dibenzonitrile.

ABSTRACT: The mol-ecule of the title Schiff base compound, C(19)H(16)N(4), has crystallographic twofold rotation symmetry. The imino group is coplanar with the aromatic ring. Within the mol-ecule, the planar units are parallel, but extend in opposite directions from the central methyl-ene bridge. The packing of the mol-ecules is controlled by C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2961763 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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4,4'-[Propane-1,3-diylbis(nitrilo-methyl-idyne)]dibenzonitrile.

Fun Hoong-Kun HK Kia Reza R Kargar Hadi H

Acta crystallographica. Section E, Structure reports online 20080625 Pt 7

The mol-ecule of the title Schiff base compound, C(19)H(16)N(4), has crystallographic twofold rotation symmetry. The imino group is coplanar with the aromatic ring. Within the mol-ecule, the planar units are parallel, but extend in opposite directions from the central methyl-ene bridge. The packing of the mol-ecules is controlled by C-H⋯π inter-actions. ...[more]

PMID: 21202959

Similar Datasets

4,4'-[Butane-1,4-diylbis(nitrilo-methyl-idyne)]dibenzonitrile.

Project description:The title Schiff base compound, C(20)H(18)N(4), lies across a crystallographic inversion centre and adopts E configurations with respect to the C=N bonds. The asymmetric unit of the compound is composed of one half-mol-ecule. The imino group is coplanar with the benzene ring. Within the mol-ecule, the planar units are parallel but extend in opposite directions from the methyl-ene bridge. In the crystal structure, neighbouring mol-ecules are linked together by weak inter-molecular C-H?N hydrogen bonds involving the cyano N atoms. These form ten-membered rings, generating R(2) (2)(10) ring motifs, and link the mol-ecules along the c axis.

| S-EPMC2960678 | biostudies-literature

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.

| S-EPMC2967979 | biostudies-literature

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

Project description: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].

| S-EPMC2961864 | biostudies-other

{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)°.

| S-EPMC2969458 | biostudies-literature

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 ?-? inter-actions with a centroid-to-centroid distance of 3.7371?(8)?Å are observed in the crystal packing.

| S-EPMC2959562 | biostudies-other

A second monoclinic polymorph of 4,4'-[butane-1,4-diylbis(nitrilo-methyl-idyne)]dibenzonitrile.

Project description:The asymmetric unit of the title Schiff base compound, C(20)H(18)N(4), contains one half-mol-ecule, lying across a crystallographic inversion centre and adopting an E configuration with respect to the C=N bonds. The imino group is coplanar with the benzene ring with a maximun deviation of 0.096?(1)?Å for the N atom. Within the molecule, the planar units are parallel but extend in opposite directions from the methylene bridge. In the crystal structure, neighbouring mol-ecules are linked together by weak inter-molecular C-H?N hydrogen bonds involving the cyano N atoms, forming R(2) (2)(10) ring motifs.

| S-EPMC2960069 | biostudies-literature

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.

| S-EPMC2967940 | biostudies-literature

Aqua{6,6'-dimeth-oxy-2,2'-[propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}copper(II).

Project description:In the asymmetric unit of the title compound, [Cu(C(19)H(20)N(2)O(4))(H(2)O)], there are two independent mononuclear Cu(II) complexes. The coordination environment of each Cu(II) ion is square-pyramidal completed by two N atoms and two O atoms forming the basal plane, and one O atom of the water mol-ecule occupying the apical position. Neighbouring complexes are connected via O-H?O hydrogen bonds between the water mol-ecule and the meth-oxy group, forming a chain structure along the a axis. The propyl-ene groups of the two independent complexes are disordered over two positions with site occupancies of 0.361?(7):0.639?(7) and 0.224?(8):0.776?(8). The crystal under investigation was a partial inversion twin.

| S-EPMC2971379 | biostudies-literature

{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.

| S-EPMC2961367 | biostudies-literature

{?-6,6'-Dimeth-oxy-2,2'-[propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}trinitratocopper(II)europium(III).

Project description:In the title complex, [CuEu(C(19)H(20)N(2)O(4))(NO(3))(3)], the Cu(II) ion is four-coordinated in a square-planar geometry by two O atoms and two N atoms of the deprotonated Schiff base. The Eu(III) atom is ten-coordinate, chelated by three nitrate groups and linked to the four O atoms of the deprotonated Schiff base.

| S-EPMC2960587 | biostudies-literature

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