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

ABSTRACT: 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.

SUBMITTER: Horne TV

PROVIDER: S-EPMC4719922 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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

Project description: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.

| S-EPMC4555373 | biostudies-literature

4,4'-Dimethyl-2,2'-[(3-aza-pentane-1,5-di-yl)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:In the crystal structure of the title Schiff base, C(20)H(25)N(3)O(2), the salicylaldimine groups at each end of the mol-ecule are essentially planar and make a dihedral angle of 84.94?(3)° with each other. There are strong intra-molecular O-H?N hydrogen bonds and a weak inter-molecular N-H?O hydrogen bond.

| S-EPMC2961844 | biostudies-other

(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(3-methyl-piperidinium) naphthalene-1,5-disulfonate.

Project description:The asymmetric unit of the title compound, 2C(6)H(14)N(+)·C(10)H(6)O(6)S(2) (2-), contains one 3-methyl-piperidinium cation and one-half of the centrosymmetric naphthalene-1,5-disulfonate anion. In the crystal, anions and cations are linked through N-H?O hydrogen bonds into layers parallel to (101).

| S-EPMC3379283 | biostudies-literature

Bis(3-methyl-anilinium) naphthalene-1,5-disulfonate.

Project description:In the crystal of the title mol-ecular salt, 2C(7)H(10)N(+)·C(10)H(6)O(6)S(2) (2-), the naphthalene-1,5-disulfonate anion is located on an inversion center and accepts N-H?O hydrogen bonds from the 3-methyl-anilinium cations, forming supra-molecular layers parallel to the ac plane.

| S-EPMC3379332 | biostudies-literature

Bis(2-methyl-piperidinium) naphthalene-1,5-disulfonate.

Project description:In the structure of the title mol-ecular salt, 2C(6)H(14)N(+)·C(10)H(6)O(6)S(2) (2-), the asymmetric unit consists of one 2-methyl-piperidinium cation and one-half of a naphthalene-1,5-disulfonate anion; the anion lies across a centre of symmetry. In the crystal, the cations and anions are linked through N-H?O hydrogen bonds, forming a two-dimensional network.

| S-EPMC3379322 | biostudies-literature

5,5'-Dimeth-oxy-2,2'-[(pentane-1,5-diyl-dioxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(21)H(26)N(2)O(6), which lies across a crystallographic inversion centre, crystallizes with two unique half-molecules in the symmetric unit and adopts a linear configuration and the imino group is coplanar with the aromatic ring, making a dihedral angle of 3.26?(3)°. Strong intra-molecular O-H?N and weak inter-molecular O-H?O and C-H?O hydrogen bonds and weak inter-molecular ?-? stacking inter-actions [centroid-centroid distance = 4.419?(2)?Å]establish an infinite three-dimensional supra-molecular structure.

| S-EPMC2977826 | biostudies-other

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

Crystal structure of di-?-hydroxido-bis{[N,N'-bis-(2,6-di-methyl-phen-yl)pentane-2,4-diiminato(1-)]zinc}.

Project description:The title compound, [Zn2(C21H25N2)2(OH)2], is a binuclear zinc complex formed by two bidentate ?-diketiminate (nacnac) ligands and two ?-hydroxide O atoms, bridging two mononuclear units into a centrosymmetric dimeric unit. Each Zn(2+) cation is coordinated by two N-donor atoms from the nacnac ligand and two O-donor atoms of hydroxide anions to give a distorted tetra-hedral coordination environment. The Zn-O bond lengths are 1.9643?(13) and 2.0022?(14)?Å, and the two Zn-N bond lengths are 1.9696?(14) and 1.9823?(14)?Å. The distance between the two Zn(2+) cations in the dimer is 2.9420?(4)?Å. Although hydroxide groups are present in the complex, no classical hydrogen-bonding inter-ations are observed because of the bulky ?-diketiminate ligands.

| S-EPMC4186180 | biostudies-literature

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