Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(3Z,3'E)-3,3'-[Cyclo-hexane-1,2-diylbis(aza-nylyl-idene)]bis-(indolin-2-one) N,N-dimethyl-formamide monosolvate dihydrate.

ABSTRACT: In the Schiff base mol-ecule of the title compound, C(22)H(20)N(4)O(2)·C(3)H(7)NO·2H(2)O, the cyclo-hexane ring adopts a chair conformation with the two imine groups linked at the equatorial positions. The two indolin-2-one ring systems make a dihedral angle of 65.63 (5)°. In the crystal, the Schiff base mol-ecules are connected through bifurcated N-H⋯(O,N) hydrogen bonds, forming inversion dimers. The water molecules link the dimers and the dimethylformamide molecules via O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds. Together with C-H⋯π and π-π [centroid-centroid distance = 3.3889 (10) Å] inter-actions a three-dimensional supra-molecular structure is formed.

SUBMITTER: Pezeshkpour S

PROVIDER: S-EPMC3393919 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate tetra-hydro-furan monosolvate.

Project description:The title compound, C(26)H(26)N(2)O(6)S·C(4)H(8)O, a solvated bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The thio-phene-2,5-dicarboxamide core approximates C(2) point symmetry. The tetra-hydro-furan solvent mol-ecule is linked to the main mol-ecule through an inter-molecular N-H?O hydrogen bond. The central ring makes dihedral angles of 90.0?(2) and 76.5?(2)° with the pendant rings.

| S-EPMC2983431 | biostudies-literature

{6,6'-Dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato}nickel(II) dimethyl-formamide monosolvate.

Project description:In the title compound, [Ni(C(18)H(18)N(2)O(4))]·C(3)H(7)NO, the central Ni(II) atom is in a square-planar O(2)N(2) coordination environment. The planar Ni-salen moieties (r.m.s. deviation for the plane through the conjugated part of the Ni-salen group = 0.07?Å) form parallel stacks in the a-axis direction, with alternating Ni?Ni separations of 3.5339?(7) and 3.6165?(7)?Å. In the crystal, there are weak inter-molecular C-H?O inter-actions involving the dimethyl-formamide O and phenolate O atoms.

| S-EPMC3051997 | biostudies-literature

2,2'-{[(1E,1'E)-(Cyclo-hexane-1,4-diyl)-bis(aza-nylyl-idene)]bis-(ethan-1-yl-1-yl-idene)}diphenol.

Project description:The title compound, C22H26N2O2, crystallizes with three independent mol-ecules, two of which are situated on inversion centers, so the asymmetric unit contains two independent half-mol-ecules and one mol-ecule in a general position. The two hy-droxy groups in each mol-ecule are involved in intra-molecular O-H?N hydrogen bonds, which generate S(6) rings. In the crystal, weak inter-molecular C-H?? inter-actions link the mol-ecules into two crystallographically independent columns propagating along [001]; one column consists of mol-ecules in general positions, while the other column is built from alternating independent centrosymmetric mol-ecules.

| S-EPMC3790448 | biostudies-literature

(2Z,2'Z)-Diethyl 3,3'-[butane-1,4-diylbis(aza-nedi-yl)]bis-(but-2-enoate).

Project description:The whole mol-ecule of the title ?-enamino-ester, C(16)H(28)N(2)O(4), is generated by a crystallographic inversion center, situated at the mid-point of the central C-C bond of the 1,4-diamino-butane segment. There are two intra-molecular N-H?O hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756?(17)?Å]. The mol-ecule is S-shaped with the planar central 1,4-diamino-butane segment [maximum deviation for non H-atoms = 0.0058?(13)?Å] being inclined to the ethyl butyl-enonate fragment [C-C-O-C-C=C-C; maximum deviation = 0.0710?(12)?Å] by 15.56?(10)°. In the crystal, mol-ecules are linked via C-H?O inter-actions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.

| S-EPMC3470214 | biostudies-literature

Di-aqua-{2,2'-dimeth-oxy-6,6'-[(1E,1'E)-propane-1,3-diylbis(aza-nylyl-idene)bis-(methanylyl-idene)]diphenolato}nickel(II).

Project description:In the mol-ecule of the title compound, [Ni(C19H20N2O4)(H2O)2], the central Ni(II) ion lies on a mirror plane and is surrounded by an N2O4 coordination set in the form of a distorted octa-hedron defined by the O atoms of two water mol-ecules and by two phenolic O and two imine N atoms of the tetra-dentate Schiff base ligand. In the crystal, O-H?O hydrogen bonds between the water mol-ecules and the phenolic and meth-oxy O atoms of neighbouring mol-ecules lead to the formation of rods propagating parallel to [100].

| S-EPMC3772429 | biostudies-literature

Crystal structure of (±)-[trans-cyclo-hexane-1,2-diylbis(aza-nedi-yl)]di-phospho-nium dibromide dichloro-methane disolvate.

Project description:The cation of the title solvated salt, C42H42N2P2 (2+)·2Br(-)·2CH2Cl2, lies on a crystallographic twofold rotation axis. The 1,2-di-amino-cyclo-hexane fragment has a chair conformation with two N atoms in a transoid conformation [N-C-C-N = 163.4?(2)°]. In the crystal, the cations are linked to the anions by N-H?Br and C-H?Br hydrogen bonds, forming a chain structure along the c axis. The di-chloro-methane mol-ecule takes part in the hydrogen-bond network through C-H?? and C-H?Br inter-actions.

| S-EPMC4910354 | biostudies-literature

Ethyl-enediammonium tetra-kis({2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II)) bis-(perchlorate) dimethyl-formamide monosolvate.

Project description:The title compound, (C(2)H(10)N(2))[Ni(C(16)H(14)N(2)O(2))](4)(ClO(4))(2)·C(3)H(7)NO, crystallizes with four Ni(salen) mol-ecules {salen is 2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolate}, one ethyl-enediammonium cation (actually two half-cations, each located on a center of inversion), two perchlorate anions and one dimethyl-formamide solvent mol-ecule in the asymmetric unit. Each Ni(II) cation in the Ni(salen) complex is four-coordinated by two imine N atoms and two phenolate O atoms from the tetra-dentate ligand. The Ni(salen) units form parallel slipped stacks with Ni?Ni separations of 3.4541?(4) and 3.6442?(6)?Å. The crystal packing is stabilized by inter-molecular hydrogen bonds between the ammonium H atoms and the perchlorate and salen O atoms, which generate a three-dimensional structure.

| S-EPMC2979541 | biostudies-literature

1-Allyl-3,3-diphenyl-indolin-2-one.

Project description:In the title compound, C(23)H(19)NO, the oxindole residue is essentially planar and is almost perpendicular to the phenyl rings [dihedral angles = 72.1?(6) and 77.6?(6)°]. The mol-ecular packing is stabilized by C-H?O hydrogen bonds and C-H?N inter-actions.

| S-EPMC2961105 | biostudies-literature

3,3'-Diazenediyldiphthalic acid dihydrate.

Project description:In the crystal structure of the title compound, C(16)H(10)N(2)O(8)·2H(2)O, the organic mol-ecule is located on a centre of symmetry. The two benzene rings are parallel, but not coplanar, as indicated by N=N-C-C torsion angles involving the azo group of 12.1?(5) and -168.2?(3)°. The organic mol-ecule and the water mol-ecule are linked by O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2915230 | 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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data