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2-{1-[2-(Bis{2-[1-(5-chloro-2-hydroxy-phen-yl)ethyl-ideneamino]eth-yl}amino)-ethyl-iminio]eth-yl}-4-chloro-phenolate toluene hemisolvate.

ABSTRACT: In the toluene hemisolvated tripodal tris-(2-amino-ethyl)amine Schiff base, C(30)H(33)Cl(3)N(4)O(3)·0.5C(7)H(8), one of the three imino N atoms is protonated, forming a hydrogen bond with the O atom at an adjacent benzene ring. The other two imino N atoms act as hydrogen-bond acceptors from phenolate OH groups. The toluene solvent mol-ecule is disordered about a centre of inversion.

SUBMITTER: Lee SM

PROVIDER: S-EPMC2968323 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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2-{1-[2-(Bis{2-[1-(5-chloro-2-hydroxy-phen-yl)ethyl-ideneamino]eth-yl}amino)-ethyl-iminio]eth-yl}-4-chloro-phenolate toluene hemisolvate.

Lee See Mun SM Ali Hapipah Mohd HM Lo Kong Mun KM Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090128 Pt 2

In the toluene hemisolvated tripodal tris-(2-amino-ethyl)amine Schiff base, C(30)H(33)Cl(3)N(4)O(3)·0.5C(7)H(8), one of the three imino N atoms is protonated, forming a hydrogen bond with the O atom at an adjacent benzene ring. The other two imino N atoms act as hydrogen-bond acceptors from phenolate OH groups. The toluene solvent mol-ecule is disordered about a centre of inversion. ...[more]

PMID: 21582001

Similar Datasets

Dichloridobis(2-{1-[2-(1H-indol-3-yl)ethyl-iminio]eth-yl}phenolate-κO)zinc(II)-2-{1-[2-(1H-indol-3-yl)ethyl-iminio]eth-yl}phenolate (1/2).

Project description:In the mononuclear complex mol-ecule of the title compond, [ZnCl(2)(C(18)H(18)N(2)O)(2)]·2C(18)H(18)N(2)O, the Zn atom, which lies on a twofold rotation axis, is coordinated by phenolate O atoms in a tetra-hedral coordination geometry. The coordinated Schiff base uses its indole NH donor site to form a hydrogen bond to the negatively charged phenolate O atom of the uncoordinated zwitterionic Schiff base. There is an intra-molecular N-H⋯O hydrogen bond in the coordinated and uncoordinated Schiff bases. The indole NH site of the uncoordinated Schiff base does not engage in a hydrogen-bond inter-action. The CH(2)-CH(2) group in the uncoordinated Schiff base is disordered equally over two positions.

| S-EPMC2961161 | biostudies-literature

2-{1-[2-((2-Ammonio-ethyl){2-[1-(5-chloro-2-hydroxy-phen-yl)ethyl-idene-amino]eth-yl}amino)ethyl-iminio]eth-yl}-4-chloro-phenolate trifluoro-acetate.

Project description:In the title ion-pair, C(22)H(29)Cl(2)N(4)O(2) (+)·C(2)F(3)O(2) (-), ammonium-carboxyl-ate N-H?O hydrogen bonds link two cations and two anions about a centre of inversion to generate a hydrogen-bonded tetramer. In the cation, one of the imino N atoms is protonated and donates a hydrogen bond to the O atom of the adjacent chloro-phenyl ring. The other imino N atom acts as a hydrogen-bond acceptor from a phenolate O atom.

| S-EPMC2968282 | biostudies-other

2-Chloro-N-(4-chloro-benzo-yl)benzene-sulfonamide toluene hemisolvate.

Project description:The unit cell of the title compound, C(13)H(9)Cl(2)NO(3)S·0.5C(7)H(8), contains two mol-ecules of 2-chloro-N-(4-chloro-benzo-yl)benzene-sulfonamide and one toluene mol-ecule, which is disordered about a centre of inversion. The dihedral angle between the two aromatic rings is 85.7?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O(S) hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC3050374 | biostudies-literature

2-{[2-(Piperazin-4-ium-1-yl)ethyl-iminio]meth-yl}phenolate 0.06-chloride 0.94-perchlorate.

Project description:The structure of the title salt, C(13)H(20)N(3)O(+)·0.94ClO(4) (-)·0.06Cl(-), contains a zwitterionic Schiff base with a net positive charge and a perchlorate anion having substitutional disorder with Cl. In the cation, the azomethine N atom is protonated and donates hydrogen bonds to the phenolate O atom and to the tertiary N atom of the piperazine ring. In the crystal, two Schiff base mol-ecules are linked about a center of inversion by a pair of N-H⋯O hydrogen bonds. The resulting dimers are N-H⋯O and C-H⋯O hydrogen bonded to the perchlorate anions, forming a three-dimensional structure. The network is further consolidated by C-H⋯π inter-actions.

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(E)-2-[(2-Hydroxy-ethyl)iminiometh-yl]-6-methoxy-phenolate.

Project description:The title Schiff base compound, C(10)H(13)NO(3), obtained by the reaction of 2-hydr-oxy-3-methoxy-benzaldehyde and 2-amino-ethanol in methanol solution, crystallizes in a zwitterionic form, in which the mol-ecule adopts a trans configuration about the central C=N bond. An intra-molecular N-H?O hydrogen bond occurs. In the crystal structure, mol-ecules are linked into chains by inter-molecular O-H?O hydrogen bonding.

| S-EPMC2968608 | biostudies-literature

4-Chloro-2-[(E)-({4-[N-(3,4-dimethyl-isoxazol-5-yl)sulfamo-yl]phen-yl}iminio)meth-yl]phenolate.

Project description:The title compound, C(18)H(16)ClN(3)O(4)S, is a Schiff base ligand in which the H atom of the hydr-oxy group has moved to the N atom of the imine group, resulting in a zwitterion. The structure is stabilized by an intra-molecular (N-H?O) and five inter-molecular (C-H?O, C-H?N and N-H?O) hydrogen bonds. The mol-ecules are linked to each other by hydrogen bonds and form a three-dimensional polymeric network. In addition, the aromatic rings are also involved in ?-? inter-actions [centroid-centroid distance between aromatic rings = 3.7525?(11)?Å].

| S-EPMC2960758 | biostudies-literature

2-((E)-{2-[(E)-2,3-Dihydroxy-benzyl-ideneamino]-5-methyl-phen-yl}iminiometh-yl)-6-hydroxy-phenolate.

Project description:The asymmetric unit of the title Schiff base compound, C(21)H(18)N(2)O(4), consists of four independent zwitterions (A, B, C and D) with similar conformations. In each independent mol-ecule, the methyl group is disordered over two positions; the occupancies of the two positions are 0.819 (5) and 0.181 (5) in mol-ecule A, 0.912 (5) and 0.088 (5) in B, 0.734 (5) and 0.266 (5) in C, and 0.940 (6) and 0.060 (6) in D. The dihydroxy-phenyl and the hydroxy-phenolate rings in mol-ecule A form dihedral angles of 17.36 (12) and 13.30 (12)°, respectively, with the central benzene ring, whereas the respective angles for mol-ecules B, C and D are 30.22 (11)/7.46 (11), 35.26 (12)/11.01 (12) and 39.89 (12)/4.29 (12)°. In all independent mol-ecules, intra-molecular N-H⋯O and O-H⋯N hydrogen bonds generate S(6) ring motifs. The four independent mol-ecules are linked into two pairs, viz. A-B and C-D, by inter-molecular O-H⋯O hydrogen bonds. These pairs are linked into a two-dimensional network parallel to the ab plane by C-H⋯O hydrogen bonds. In addition, C-H⋯π and π-π [centroid-centroid distance = 3.5153 (14)-3.7810 (15) Å] inter-actions stabilize the crystal structure.

| S-EPMC2969866 | biostudies-literature

(E)-2-{[1-Carb-oxy-2-(1H-indol-3-yl)ethyl-iminio]meth-yl}-6-hy-droxy-phenolate.

Project description:In the zwitterionic title compound, C(18)H(16)N(2)O(4), the dihedral angle between the planes of the benzene and indole rings is 26.38?(10)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked through N-H?O, O-H?O and C-H?O hydrogen bonds into infinite chains propagating in [010].

| S-EPMC3200592 | biostudies-literature

(1RS,6SR)-Ethyl 4-(4-chloro-phen-yl)-6-(4-fluoro-phen-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate toluene hemisolvate.

Project description:In the crystal structure of the title compound, C(21)H(18)ClFO(3)·0.5C(7)H(8), the toluene solvent mol-ecules occupy special positions on centres of symmetry, and consequently are disordered across this site. The cyclo-hexene ring has a slightly distorted sofa conformation; the two benzene rings are inclined by 72.90 (7)° and their planes make dihedral angles of 30.09 (10) (chloro-phen-yl) and 88.13 (6)° (fluoro-phen-yl) with the approximately planar part of the cyclo-hexenone ring [maximum deviation from plane through five atoms is 0.030 (2) Å, the sixth atom is 0.672 (3)Å out of this plane]. Weak inter-molecular C-H⋯O and C-H⋯X (X = F, Cl) inter-actions join mol-ecules into a three-dimensional structure. Also, a relatively short and directional C-Cl⋯F-C contact is observed [Cl⋯F = 3.119 (2) Å, C-Cl⋯F = 157.5 (2)° and C-F⋯Cl 108.3 (2)°]. The solvent mol-ecules fill the voids in the crystal structure and are kept there by relatively short and directional C-H⋯π inter-actions.

| S-EPMC3051615 | biostudies-literature

5-Meth-oxy-2-[(2-morpholinoeth-yl)-iminio-meth-yl]phenolate.

Project description:Each of the two independent mol-ecules of the title comound, C(14)H(20)N(2)O(3), exists in the zwitterionic form as the imino N atoms are protonated. The =N-H unit forms an intra-molecular hydrogen bond to the negatively charged O atom, and also a weaker intermolecular N-H⋯O bond, the latter resulting in inversion dimers.

| S-EPMC2977747 | biostudies-literature

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