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Crystal structure of 1,1'-{(pentane-1,5-di-yl)bis[(aza-niumylyl-idene)methanylyl-idene]}bis(naphthalen-2-olate).

ABSTRACT: The whole mol-ecule of the title compound, C27H26N2O2, is generated by twofold rotational symmetry, with the central C atom of the pentyl chain located on the twofold rotation axis. The compound crystallizes as a bis-zwitterion, and there are two intra-molecular N-H?O hydrogen bonds generating S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming ribbons propagating along [001], and enclosing R 2 (2)(22) ring motifs.

SUBMITTER: Ouari K

PROVIDER: S-EPMC4555373 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 1,1'-{(pentane-1,5-di-yl)bis[(aza-niumylyl-idene)methanylyl-idene]}bis(naphthalen-2-olate).

Ouari Kamel K Merzougui Moufida M Karmazin Lydia L

Acta crystallographica. Section E, Crystallographic communications 20150806 Pt 9

The whole mol-ecule of the title compound, C27H26N2O2, is generated by twofold rotational symmetry, with the central C atom of the pentyl chain located on the twofold rotation axis. The compound crystallizes as a bis-zwitterion, and there are two intra-molecular N-H⋯O hydrogen bonds generating S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming ribbons propagating along [001], and enclosing R 2 (2)(22) ring motifs. ...[more]

PMID: 26396836

Similar Datasets

Crystal structure of 1,1'-{(dodecane-1,12-di-yl)bis-[(aza-niumylyl-idene)methanylyl-idene]}bis-(naphthalen-2-olate).

Project description:The title compound, C34H40N2O2, exists in an extended conformation and has crystallographically imposed centrosymmetry. The crystal packing can be described as being composed of parallel layers stacked along [010]. The zwitterionic structure is stabilized by an intra-molecular N-H?O hydrogen-bond inter-action.

| S-EPMC4420129 | biostudies-literature

1,1'-{(Hexane-1,6-di-yl)bis-[(aza-niumylyl-idene)methanylyl-idene]}bis-(naphthalen-2-olate).

Project description:The whole molecule of the title Schiff base compound, C28H28N2O2, is generated by inversion symmetry. It is formed from two units of ortho-hy-droxy-naphthaldehyde bridged with 1,6-di-amino-hexane. The N atoms are protonated and, thus, the structure is a bis-zwitterionic compound in the solid state. The zwitterion shows strong intra-molecular N-H?O hydrogen bonds between the iminium N and the naphthaleno-late O atoms.

| S-EPMC4331877 | biostudies-other

Crystal structure of 1,1'-{(1E,1'E)-[4,4'-(9H-fluorene-9,9-di-yl)bis-(4,1-phenyl-ene)]bis-(aza-nylyl-idene)bis(methanylyl-idene)}bis-(naphthalen-2-ol) di-chloro-benzene monosolvate.

Project description:The bis-(anil) mol-ecule of the title compound, C47H32N2O2·C6H4Cl2, contains two anil fragments in the enol-enol form, exhibiting intra-molecular O-H⋯N hydrogen bonds. The two hy-droxy-naphthalene ring systems are approximately parallel to each other with a dihedral angle of 4.67 (8)° between them, and each ring system makes a large dihedral angle [55.11 (11) and 48.50 (10)°] with the adjacent benzene ring. In the crystal, the bis-(anil) mol-ecules form an inversion dimer by a pair of weak C-H⋯O inter-actions. The dimers arrange in a one-dimensional column along the b axis via another C-H⋯O inter-action and a π-π stacking inter-action between the hy-droxy-naphthalene ring system with a centroid-centroid distance of 3.6562 (16) Å. The solvent 1,2-di-chloro-benzene mol-ecules are located between the dimers and bind neighbouring columns by weak C-H⋯Cl inter-actions. Theoretical prediction of potential biological activities was performed, which suggested that the title anil compound can exhibit histone de-acetyl-ase SIRT2, histone de-acetyl-ase class III and histone de-acetyl-ase SIRT1 activities, and will act as inhibitor to aspulvinone di-methyl-allyl-transferase, de-hydro-l-gulonate deca-rboxylase and gluta-thione thiol-esterase.

| S-EPMC7534250 | biostudies-literature

(E,E)-3,3'-Dimethyl-1,1'-diphenyl-4,4'-{[3-aza-pentane-1,5-diylbis(aza-nedi-yl)]bis-(phenyl-methyl-idyne)}di-1H-pyrazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(38)H(37)N(7)O(2), contains one half-mol-ecule, situated on a twofold rotational axis, in which one amino group is involved in intra-molecular N-H?O hydrogen bond and the two phenyl rings are twisted from the plane of pyrazolone ring by 26.69?(10) and 79.64?(8)°. The crystal packing exhibits no classical inter-molecular contacts.

| S-EPMC3011678 | biostudies-literature

Bis{?-2,2'-[(3-aza-pentane-1,5-di-yl)bis-(nitrilo-methyl-idyne)]diphenolato}dicopper(II) dimethyl sulfoxide disolvate.

Project description:The title compound, [Cu(2)(C(18)H(19)N(3)O(2))(2)]·2C(2)H(6)OS or [Cu(2)(SalenN(3)H)(2)]·2DMSO, where SalenN(3)H is the multidentate Schiff base 2,2'-[(3-aza-pentane-1,5-di-yl)bis-(nitrilo-methyl-idyne)]diphenolate dianion and DMSO is dimethyl sulfoxide, is a solvated dinuclear Cu(II) complex. The neutral complex is built from two Cu(SalenN(3)H) units related by an inversion center. All heteroatoms in the Schiff bases coordinate the Cu(II) ions, which display highly distorted trigonal bipyramidal geometries. The solvent mol-ecules are located in the structural voids of the complex and are disordered over two positions with occupancies of 0.642?(15) and 0.358?(15). The previously characterized acetone disolvate of the same complex presents identical mol-ecular and crystal structures, and crystallizes with cell parameters very close to those of the DMSO disolvate reported here.

| S-EPMC2961312 | biostudies-literature

2,2'-{1,1'-[Pentane-1,5-diylbis(oxy-nitrilo)]diethylidyne}di-1-naphthol.

Project description:The title compound, C(29)H(30)N(2)O(4), adopts a distorted Z configuration with respect to the oxime group, which is almost coplanar with the adjacent naphthalene ring [dihedral angle = 4.11?(2)°]. There is one half-mol-ecule in the asymmetric unit, with a crystallographic twofold rotation axis passing through the central C atom of the -CH=N-O-(CH)(5)-O-N=CH- bridge. Within the mol-ecule, the dihedral angle formed by the two naphthalene rings is 79.08?(3)°, and there are two intra-molecular O-H?N hydrogen bonds.

| S-EPMC2969628 | biostudies-literature

catena-Poly[[[bis-(4-amino-benzoato-κO)copper(II)]-μ-1,1'-(pentane-1,5-di-yl)diimidazole] trihydrate].

Project description:In the title compound, {[Cu(C(7)H(6)NO(2))(2)(C(11)H(16)N(4))]·3H(2)O}(n), each Cu(II) atom is coordinated by two O atoms from two 4-amino-benzoate anions, and two N atoms from two different 1,1'-(pentane-1,5-di-yl)diimidazole (biim-5) ligands, to furnish a distorted square-planar geometry. The biim-5 ligand coordinates to two copper(II) cations, acting as a bridging ligand; as a result the copper(II) cations are connected to form an infinite chain structure. The polymeric chains are linked through a variety of hydrogen bonds to form a three-dimensional structure.

| S-EPMC2915095 | biostudies-literature

Crystal structure of 5,5'-bis-(di-methyl-amino)-N,N'-(3-methyl-3-aza-pentane-1,5-di-yl)di(naphthalene-1-sulfonamide).

Project description:In the title compound, C29H37N5O4S2, two arms substituted with dansyl derivatives are connected to a central tertiary amine, where the dihedral angle between the planes of two dansyl units is 56.39 (4)°. Each arm contains a sulfonamide functional group and both N-H groups in the compound are pointed to the same side. The central part of the mol-ecule is disordered over three sets of sites with a refined occupancy ratio of 0.547 (4):0.328 (4):0.125 (3). No intra-molecular π-π or hydrogen-bonding inter-actions are observed. In the crystal, mol-ecules are linked via pairs of N-H⋯O inter-actions involving the same acceptor atom, forming inversion dimers. In addition, C-H⋯O inter-actions exist between molecules, providing further stabilization of dimers.

| S-EPMC4719922 | biostudies-literature

2,2'-{1,1'-[Pentane-1,5-diyl-bis(oxy-nitrilo)]-diethyl-idyne}diphenol.

Project description:In the title compound, C(21)H(26)N(2)O(4), there is half a mol-ecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the -CH=N-O-(CH(2))(5)-O-N=CH- bridge. The dihedral angle formed by the two benzene rings is 80.85?(2)°. Strong intra-molecular O-H?N and C-H?O hydrogen bonds help to establish the molecular conformation. There are also weak inter-molecular ?-? stacking inter-actions between neighbouring benzene rings [centroid-centroid separation = 3.502?(3)?Å].

| S-EPMC2959680 | biostudies-literature

Di-μ-chlorido-bis-(chlorido{2,2'-[3-(1H-imidazol-4-ylmeth-yl)-3-aza-pentane-1,5-di-yl]diphthalimide}copper(II)).

Project description:The centrosymmetric dinuclear Cu(II) complex, [Cu(2)Cl(4)(C(24)H(21)N(5)O(4))(2)], was synthesized by the reaction of CuCl(2)·2H(2)O with the tripodal ligand 2,2'-[3-(1H-imid-azol-4-ylmeth-yl)-3-aza-pentane-1,5-di-yl]diphthalimide (L). Each of the Cu(II) ions is coordinated by two N atoms from the ligand, two bridging Cl atoms and one terminal Cl atom. The Cu(II) coordination can be best be described as a transition state between four- and five-coordination, since one of the bridging Cl atoms has a much longer Cu-Cl bond distance [2.7069 (13) Å] than the other [2.2630 (12) Å]. In addition, the Cu⋯Cu distance is 3.622 (1) Å. The three-dimensional structrure is generated by N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds and π-π inter-actions [centroid-centroid distances = 3.658 (4) and 4.020 (4) Å].

| S-EPMC2971966 | biostudies-literature

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