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

ABSTRACT: 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.

SUBMITTER: Kia R

PROVIDER: S-EPMC2960069 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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

Kia Reza R Fun Hoong-Kun HK Kargar Hadi H

Acta crystallographica. Section E, Structure reports online 20081120 Pt 12

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 ...[more]

PMID: 21581359

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

Project description: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.

| S-EPMC2961763 | 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 π-π inter-actions with a centroid-to-centroid distance of 3.7371 (8) Å are observed in the crystal packing.

| S-EPMC2959562 | biostudies-literature

4,4'-[Piperazine-1,4-diylbis(propyl-ene-nitrilo-methyl-idyne)]diphenol.

Project description:In the title mol-ecule, C(24)H(32)N(4)O(2), the piperazine ring adopts a chair conformation and the dihedral angle between the two benzene rings is 35.4?(1)°. In the crystal structure, inter-molecular O-H?N hydrogen bonds link mol-ecules into chains along [001].

| S-EPMC2972058 | biostudies-literature

4,4'-Dimeth-oxy-2,2'-[(butane-1,4-diyldi-oxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base bis-oxime compound, C(20)H(24)N(2)O(6), lies across an inversion centre and adopts an E configuration with respect to the C=N bond. In the mol-ecule, the oxime group is roughly coplanar with the benzene ring, forming a dihedral angle of 1.77?(2)°. An intra-molecular O-H?N hydrogen bond forms a six-membered ring with an S(6) motif. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3009145 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[butane-1,4-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(34)H(52)N(2)O(2), is centrosymmetric, the mid-point of the central C-C bond being located on an inversion centre. Intra-molecular O-H?N and weak C-H?O hydrogen bonds are observed, but no significant inter-molecular inter-actions occur in the crystal structure.

| S-EPMC3247362 | biostudies-literature

catena-Poly[{?(3)-4,4',6,6'-tetra-bromo-2,2'-[butane-1,4-diylbis(nitrilo-methan-ylyl-idene)]diphenolato}{?(2)-4,4',6,6'-tetra-bromo-2,2'-[butane-1,4-diylbis(nitrilo-methanylyl-idene)]dipheno-lato}dicopper(II)].

Project description:The asymmetric unit of the title coordination polymer consists of a dinuclear neutral complex mol-ecule of formula [Cu(2)(C(18)H(14)Br(4)N(2)O(2))(2)](n). One of the Cu(II) ions is coordinated in a distorted square-planar geometry, whereas the other is coordinated in a distorted square-pyramidal geometry, the long apical Cu-O bond [2.885?(4)?Å] of the square-pyramidal coordination being provided by a symmetry-related O atom creating a one-dimensional polymer along [010]. ?-? stacking inter-actions [centroid-centroid distance = 3.783?(4)?Å] and short inter-chain Br?Br inter-actions [3.6142?(12)-3.6797?(12)?Å] are observed.

| S-EPMC3393252 | biostudies-literature

{1,1'-[Butane-1,4-diylbis(nitrilo-methyl-idyne)]di-2-naphtho-lato}copper(II) ethanol monosolvate.

Project description:The asymmetric unit of the title compound, [Cu(C(26)H(22)N(2)O(2))]·C(2)H(5)OH, comprises a Schiff base complex and an ethanol mol-ecule of crystallization. The Cu(II) atom shows a distorted square-planar geometry. The dihedral angle between the two aromatic rings is 48.16?(13)°. The crystal structure is stabilized by inter-molecular O-H?O and C-H?O hydrogen bonds and inter-molecular ?-? inter-actions with centroid-centroid distances in the range 3.485?(2)-3.845?(3)?Å.

| S-EPMC3050176 | biostudies-literature

A monoclinic polymorph of (R,R)-4,4'-dibromo-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(20)H(20)Br(2)N(2)O(2), a tetra-dentate Schiff base, is the enanti-omerically pure R,R-diastereomer of four possible stereoisomers. The mol-ecular structure reveals two strong intra-molecular O-H⋯N hydrogen bonds between the hy-droxy O atom and the imino N atom, which each generate S(6) rings. In the crystal, mol-ecules are stacked in columns along the a axis; when viewed down the b axis, successive columns are stacked in the opposite direction. The structure reported herein is the monoclinic polymorph of the previously reported ortho-rhom-bic form [Yi & Hu (2009 ▶). Acta Cryst. E65, o2643], in which the complete mol-ecule is generated by a crystallographic twofold axis.

| S-EPMC3344566 | biostudies-literature

A second tricilinc polymorph of 6,6'-dieth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), is a second triclinic polymorph of a previously reported room-temperature structure [Jia (2009 ▶). Acta Cryst. E65, o646]. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. Inter-molecular C-H⋯O inter-actions link neighbouring mol-ecules into dimers with an R(2) (2)(16) ring motif. The mean planes of the two benzene rings are almost perpendicular to each other, making a dihedral angle of 88.24 (5)°. An inter-esting feature of the crystal structure is the intermolecular short C⋯O [3.1878 (13) Å] contact which is shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.7414 (6) Å]. The structure has a stereogenic centre but the space group is centrosymmetric, so the mol-ecule exists as a racemate.

| S-EPMC2968989 | biostudies-literature

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