Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of di-bromido-(N,N-di-methyl-formamide-?O){2-(1H-indol-3-yl)-N-[(quinolin-2-yl-?N)methyl-idene]ethanamine-?N}cadmium.

ABSTRACT: In the mononuclear title complex, [CdBr2(C20H17N3)(C3H7NO)], synthesized from the quinoline-derived Schiff base 2-(1H-indol-3-yl)-N-(quinolin-2-yl-methyl-ene)ethan-amine (IQME), the coordination geometry around the Cd(2+) atom is distorted trigonal bipyramidal, the axial positions being occupied by the quinoline N atom [Cd-N = 2.401?(3)?Å] and one di-methyl-formamide O-atom donor [Cd-O = 2.399?(2)?Å]. The equatorial plane is formed by the imine N atom [Cd-N = 2.293?(3)?Å] and two bromides [Cd-Br = 2.5621?(8) and 2.5676?(8)?Å], with the deviation of the Cd(II) atom from the equatorial plane being 0.046?(1)?Å. An intra-molecular C-H?Br inter-action occurs. In the crystal, N-H?Br inter-actions generate [101] chains.

SUBMITTER: Faizi MS

PROVIDER: S-EPMC4384581 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of di-bromido-(N,N-di-methyl-formamide-κO){2-(1H-indol-3-yl)-N-[(quinolin-2-yl-κN)methyl-idene]ethanamine-κN}cadmium.

Faizi Md Serajul Haque MS Sharkina Natalia O NO Davydenko Yuliya M YM

Acta crystallographica. Section E, Crystallographic communications 20150121 Pt 2

In the mononuclear title complex, [CdBr2(C20H17N3)(C3H7NO)], synthesized from the quinoline-derived Schiff base 2-(1H-indol-3-yl)-N-(quinolin-2-yl-methyl-ene)ethan-amine (IQME), the coordination geometry around the Cd(2+) atom is distorted trigonal bipyramidal, the axial positions being occupied by the quinoline N atom [Cd-N = 2.401 (3) Å] and one di-methyl-formamide O-atom donor [Cd-O = 2.399 (2) Å]. The equatorial plane is formed by the imine N atom [Cd-N = 2.293 (3) Å] and two bromides [Cd-Br ...[more]

PMID: 25878841

Similar Datasets

[Bis(quinolin-2-ylcarbon-yl)amido-?(3) N,N',N'']bromido-(N,N-di-methyl-formamide-?O)copper(II).

Project description:In the mononuclear title complex, [CuBr(C20H12N3O2)(C3H7NO)], synthesized from the quinoline-derived reduced Schiff base 4-(quinolin-2-ylmeth-yl)amino-phenol, the coordination geometry around Cu(2+) is distorted square-pyramidal, comprising a bromide anion at the apex [Cu-Br = 2.4671?(5)?Å]. The base of the pyramid is built up from one di-methyl-formamide O-atom donor [Cu-O = 2.078?(2)?Å] and three N-atom donors from the monoanionic, tridentate bis-(quinolin-2-ylcarbon-yl)di-imide ligand [Cu-Ndi-imide = 1.941?(3)?Å, and Cu-Nquinol-yl = 2.060?(3) and 2.049?(3)?Å]. An intra-molecular C-H?O occurs. In the crystal, weak methyl and aromatic C-H?Br and formyl C-H?Ocarbon-yl hydrogen-bonding inter-actions generate an overall layered structure lying parallel to (001).

| S-EPMC4051018 | biostudies-literature

5-(1H-Indol-3-yl-methyl-idene)-2,2-di-methyl-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(15)H(13)NO(4), the conjugated double-bond system between the two rings adopts a cis configuration and there is an intra-molecular indole-ketone C-H?O inter-action. The indole N-H group forms an inter-molecular hydrogen bond with a ketone O-atom acceptor, giving a chain structure along the ab direction. The O-heterocyclic ring adopts a boat conformation and makes a dihedral angle of 16.72?(6)° with the indole ring system.

| S-EPMC3152020 | biostudies-literature

N'-(3-Sulfanyl-idene-3,4-di-hydro-quinoxalin-2-yl)benzohydrazide di-methyl-formamide monosolvate.

Project description:The 2-sulfanyl-idene-3,4-di-hydro-quinoxalin-2-yl ring system of the title solvate, C15H12N4OS·C3H7NO, is essentially planar, the maximum deviation from the mean plane being 0.024?(2)?Å for the thione C atom. The mean plane through the fused-ring system is almost perpendicular to the terminal phenyl ring, as indicated by the dihedral angle of 70.05?(8)°. In the crystal, the main and solvent mol-ecules are linked by N-H?O hydrogen bonds, forming a layer parallel to (010).

| S-EPMC3793763 | biostudies-literature

Crystal structures of di-bromido-{N-[(pyridin-2-yl-?N)methyl-idene]picolinohydrazide-?2N',O}cadmium methanol monosolvate and di-iodido{N-[(pyridin-2-yl-?N)methyl-idene]picolinohydrazide-?2N',O}cadmium.

Project description:The title compounds, [CdBr2(C12H10N4O)]·CH3OH, (I), and [CdI2(C12H10N4O)], (II), are cadmium bromide and cadmium iodide complexes of the ligand (E)-N'-(pyridin-2-yl-methyl-ene)picolinohydrazide. Complex (I) crystallizes as the methanol monosolvate. In both compounds, the Cd2+ cation is ligated by one O atom and two N atoms of the tridentate ligand, and by two bromide anions forming a Br2N2O penta-coordination sphere for (I), and by two iodide anions forming an I2N2O penta-coordination sphere for (II), both with a distorted square-pyramidal geometry. In the crystal of complex (I), mol-ecules are linked by pairs of N-H?O and O-H?Br hydrogen bonds, involving the solvent mol-ecule, forming dimeric units, which are linked by C-H?Br hydrogen bonds forming layers parallel to (101). In the crystal of complex (II), mol-ecules are linked by N-H?I hydrogen bonds, forming chains propagating along [010]. In complex (II), measured at room temperature, the two iodide anions are each disordered over two sites; the refined occupancy ratio is 0.75?(2):0.25?(2).

| S-EPMC5418787 | biostudies-other

Di-chlorido-(4-{[(quinolin-2-yl)methyl-idene]amino}phenol-?(2) N,N')mercury(II).

Project description:In the mononuclear title complex, [HgCl2(C16H12N2O)], synthesized from the phenolic Schiff base 4-[(quinolin-2-yl-methyl-idene)amino]-phenol (QMAP), the coordination geometry around Hg(2+) is distorted tetra-hedral, comprising two Cl atoms [Hg-Cl = 2.3565?(12) and 2.5219?(12)?Å] and two N-atom donors from the QMAP ligand, viz. one imine and the other quinoline [Hg-N = 2.392?(2) and 2.237?(2)?Å, respectively]. In the crystal, O-H?Cl hydrogen bonds generate a chain structure extending along the c-axis direction. Weak C-H?Cl and ?-? stacking inter-actions [minimum ring centroid separation = 3.641?(3)?Å] give an overall layered structure lying parallel to (001).

| S-EPMC4011313 | biostudies-literature

Poly[[(?2-benzene-1,3-di-carboxyl-ato){?2-1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene}-cadmium] di-methyl-formamide monosolvate].

Project description:The title coordination polymer, {[Cd(C8H4O4)(C14H14N4)]·C3H7NO} n , was synthesized by solvothermal reaction of metallic cadmium with the semi-rigid neutral ligand 1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene (bix) and the V-shaped benzene-1,3-di-carb-oxy-lic acid (m-H2bdc). The structure exhibits a pseudo-C-centring which is almost fulfilled by the polymeric metal complex but not by the solvent dimethylform-amide (DMF) mol-ecules. The asymmetric unit contains two independent Cd(II) ions, two m-bdc(2-) ligands, one and two half bix ligands, and two solvent DMF mol-ecules. The Cd(II) ions are both five-coordinated by three O atoms from two different m-bdc(2-) ligands and two N atoms from two different bix ligands in a distorted square-pyramidal geometry. The m-bdc(2-) ligands adopt a chelate-monodentate coordination mode, connecting neighboring Cd(II) ions into a zigzag chain parallel to [110]. Adjacent chains are further cross-linked by bix ligands, giving rise to a puckered sheet nearly perpendicular to the chain direction. Thus, each Cd(II) ion is connected to four neighboring Cd(II) ions through two m-bdc(2-) anions and two bix ligands, giving rise to the final non-inter-penetrating uninodal layer with sql (4,4) topology.

| S-EPMC3884267 | biostudies-literature

Bis{benzyl 3-[(1H-indol-3-yl)methyl-idene]dithio-carbazato-?N,S}palladium(II) N,N-dimethyl-formamide disolvate.

Project description:In the title compound, [Pd(C(17)H(14)N(3)S(2))(2)]·2C(3)H(7)NO, the deprotonated Schiff base ligand acts as an N,S-bidentate chelate, forming a five-membered ring with the metal atom. The Pd(II) ion, located on an inversion center, is four-coordinated by two of the Schiff base ligands in a square-planar geometry. In the crystal, the indolic NH groups are bonded to the dimethyl-formamide (DMF) solvent mol-ecules via an N-H?O inter-action. In addition, C-H?S inter-actions are observed.

| S-EPMC3050367 | biostudies-literature

Di-?-bromido-bis-{[N,N-dimethyl-N'-(thio-phen-2-yl-methyl-idene)ethane-1,2-diamine]-copper(I)]}.

Project description:In the crystal structure of the title compound, [Cu(2)Br(2)(C(9)H(14)N(2)S)(2)], the mol-ecule resides about a crystallographic inversion center. The coordination sphere around each copper ion has a distorted tetra-hedral geometry, with ligation by two bridging bromide ions, an amine N atom and an imine N atom. The thio-phene ring is disordered over two sites, with occupancies of 0.719?(3) and 0.281?(3). Weak C-H?? inter-actions feature in the crystal packing.

| S-EPMC3344410 | biostudies-literature

Crystal structure of N (1)-phenyl-N (4)-[(quinolin-2-yl)methyl-idene]benzene-1,4-di-amine.

Project description:In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N-H group is not involved in hydrogen bonding and the mol-ecules are linked by weak C-H⋯π inter-actions, generating [010] chains.

| S-EPMC4186095 | biostudies-literature

N-(1H-Indol-3-yl-methyl-idene)-4-methyl-piperazin-1-amine.

Project description:In the title compound, C14H18N4, the piperazine ring is in a slightly distorted chair conformation. The indole ring system is twisted from the piperazine ring, making a dihedral angle of 7.27?(11)°. In the crystal, N-H?N hydrogen bonds link mol-ecules into chains along [10-1].

| S-EPMC3884356 | 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