Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-aqua-tetra-kis-(1H-imidazole-?N (3))magnesium dichloride.

ABSTRACT: In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the Mg(II) cation lies on a crystallographic inversion centre and is coordinated by two water mol-ecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octa-hedral stereochemistry. In the crystal, water O-H?Cl and imidazole N-H?Cl hydrogen bonds give rise to a three-dimensional structure.

SUBMITTER: Kayalvizhi M

PROVIDER: S-EPMC3884374 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-aqua-tetra-kis-(1H-imidazole-κN (3))magnesium dichloride.

Kayalvizhi M M Vasuki G G Kaabi Kamel K Ben Nasr Cherif C

Acta crystallographica. Section E, Structure reports online 20130810 Pt 9

In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the Mg(II) cation lies on a crystallographic inversion centre and is coordinated by two water mol-ecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octa-hedral stereochemistry. In the crystal, water O-H⋯Cl and imidazole N-H⋯Cl hydrogen bonds give rise to a three-dimensional structure. ...[more]

PMID: 24426982

Similar Datasets

cis-Di-aqua-tetra-kis-(1-butyl-1H-imidazole-?N (3))nickel(II) dichloride.

Project description:In the title compound, [Ni(C7H12N2)4(H2O)2]Cl2, the nickel(II) ion has a distorted octa-hedral coordination environment. It is surrounded by three N atoms and one O atom occupying the equatorial plane, and one N and one O atom in the axial positions. The imidazole ring systems are inclined to one another with dihedral angles varying between 38.3?(4) and 74.1?(4)°. In the crystal, mol-ecules are linked via O-H?Cl hydrogen bonds involving one Cl(-) anion and the water mol-ecule in the equatorial plane, forming an inversion dimer-like arrangement. The water mol-ecule in the axial position is hydrogen-bonded to both Cl(-) anions. There are also a number of C-H?Cl hydrogen bonds present, forming a three-dimensional structure. All four alkyl chains are disordered over two positions with refined occupancy ratios of 0.395?(15):0.605?(15), 0.658?(14):0.342?(14), 0.332?(11):0.668?(11) and 0.622?(12):0.378?(12).

| S-EPMC3884482 | biostudies-literature

Poly[[tetra-aqua-bis-(?(3)-1H-imidazole-4,5-dicarboxyl-ato)tetra-kis-(?(2)-1H-imidazole-4,5-dicarboxyl-ato)tricobalt(II)diytterbium(III)] dihydrate].

Project description:The asymmetric unit of the title compound, {[Co(3)Yb(2)(C(5)H(2)N(2)O(4))(6)(H(2)O)(4)]·2H(2)O}(n), contains one Yb(III) ion, two Co(II) ions (one situated on an inversion centre), three imidazole-4,5-dicarboxyl-ate ligands, two coordinated water mol-ecules and one uncoordinated water mol-ecule. The Yb(III) ion is seven-coordinated, in a monocapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and one water O atom. Both Co(II) ions are six-coordinated in a slightly distorted octa-hedral geometry. The Co(II) ion that is located on an inversion center is coordinated by two O atoms from two water mol-ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands. The second Co(II) ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H?O, O-H?O and C-H?O hydrogen-bonding inter-actions involving the water mol-ecules and the imidazole-4,5-dicarboxyl-ate ligands.

| S-EPMC3212186 | biostudies-literature

Redetermination of diaqua-tetra-kis-(dimethyl-formamide-?O)magnesium dichloride.

Project description:The crystal structure of the title compound, [Mg(C(3)H(7)NO)(4)(H(2)O)(2)]Cl(2), in which the Mg ion lies on a crystallographic inversion centre, confirms that of the previous room-temperature study [Pavanello et al. (1995 ?). Main Group Met. Chem.18, 9-19]. This redetermination at 113?K has improved geometry precision by almost an order of magnitude [e.g. Mg-O(w) (w = water) distances = 2.094?(4) and 2.0899?(7)?Å in the old and new structures, respectively] and allowed the water H atoms to be located and their positions refined. In the crystal, O-H?Cl hydrogen bonds between the two aqua ligands of the complex mol-ecule and neighboring chloride counter-anions generate supra-molecular chains propagating along [010]. The dicationic [Mg(DMF)(4)(H(2)O)(2)] unit (DMF is dimethyl-formamide) adopts a slightly distorted octa-hedral geometry in which the Mg atom is coordinated by four DMF O atoms in a pseudo-tetra-gonal arrangement and two trans aqua ligands.

| S-EPMC3212177 | biostudies-literature

Poly[tetra-deca-aqua-tetra-kis-(?(3)-1H-imidazole-4,5-dicarboxyl-ato)tetra-?(3)-sulfato-cobalt(II)hexa-gadolinium(III)].

Project description:The asymmetric unit of the title compound, [CoGd(6)(C(5)H(2)N(2)O(4))(4)(SO(4))(6)(H(2)O)(14)](n), contains a Co(II) ion (site symmetry [Formula: see text]), three Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, three SO(4) (2-) anions, and seven coordinated water mol-ecules. The Co(II) ion is six-coordinated by two O atoms from water mol-ecules, two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. The Gd(III) ions exhibit three types of coordination environments. One Gd ion is eight-coordinated in a bicapped trigonal-prismatic geometry by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions and two coordinated water mol-ecules. The other Gd ions are nine-coordinated in a tricapped trigonal-prismatic geometry; one of these Gd ions is bonded to four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and two water O atoms and the other Gd ion is coordinated by one O atom and one N atom from one imidazole-4, 5-dicarboxyl-ate ligand, five O atoms from three SO(4) (2-) anions as well as two coordinated water mol-ecules. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imidazole-4,5-dicarboxyl-ate ligands.

| S-EPMC3212143 | biostudies-literature

Di-?(3)-chlorido-tetra-?(2)-chlorido-dichloridobis(dimethyl-formamide-?O)hexa-kis-(1H-imidazole-?N)tetra-cadmium.

Project description:The centrosymmetric mol-ecule of the title complex, [Cd(4)Cl(8)(C(3)H(4)N(2))(6)(C(3)H(7)NO)(2)], contains four Cd(II) atoms, six imidazole, two dimethyl-formamide and eight chloride ligands. The structure shows a novel chloride-bridged tetra-nuclear cadmium quasi-cubane cluster. The coordination geometry of all Cd(II) atoms is distorted octa-hedral, with the two metal atoms in the asymmetric unit in different coordination environments. One of the Cd(2+) ions is coordinated by five Cl(-) ions and by one N atom from an imidazole ligand, while the second is coordinated by three chloride ligands, two N atoms from two imidazole ligands and one O atom from a dimethyl-formamide mol-ecule. Inter-molecular N-H?Cl hydrogen bonds link the mol-ecules into a two-dimensional polymeric structure parallel to the ab plane.

| S-EPMC3201276 | biostudies-literature

Crystal structure of di-aqua-[5,10,15,20-tetra-kis-(4-bromo-phen-yl)porphyrinato-?(4) N]magnesium.

Project description:The title compound, [Mg(C44H24Br4N4)(H2O)2] or [Mg(TBrPP)(H2O)2], where TBrPP is the 5,10,15,20-tetra-kis-(4-bromo-phen-yl)porphyrinato ligand, was obtained unintentionally as a by-product of the reaction of the [Mg(TBrPP)] complex with an excess of di-methyl-glyoxime in di-chloro-methane. The entire mol-ecule exhibits point group symmetry 4/m. In the asymmetric unit, except for two C atoms of the phenyl ring, all other atoms lie on special positions. The Mg(II) atom is situated at a site with symmetry 4/m, while the N and the C atoms of the porphyrin macrocycle, as well as two C atoms of the phenyl ring and the Br atom lie in the mirror plane containing the porphyrin core. The H atoms of the axially bonded water mol-ecule are incompatible with the fourfold rotation axis and are disordered over two sites. In the crystal, mol-ecules are packed in rows along [001]. Weak inter-molecular C-H?? and C-H?Br inter-actions, as well as O-H?Br hydrogen bonds, stabilize the crystal packing.

| S-EPMC4350761 | biostudies-literature

Tetra-kis(1-benzyl-1H-imidazole)dichlorido-nickel(II).

Project description:In the title compound, [NiCl(2)(C(10)H(10)N(2))(4)], the Ni(II) ion is located on an inversion center being coordinated by four N atoms from two pairs of symmetry-related 1-benzyl-1H-imidazole ligands and two chloride anions in a distorted octa-hedral geometry. Weak inter-molecular C-H?Cl hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

| S-EPMC2977609 | biostudies-literature

5-(Pyridinium-3-yl)tetra-zol-1-ide hexa-aqua-magnesium dichloride.

Project description:In the title compound, (C(6)H(5)N(5))(2)[Mg(H(2)O)(6)]Cl(2), the asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra-zol-1-ide mol-ecule, one half of an [Mg(H(2)O)(6)](2+) cation ( symmetry) and one chloride ion. The Mg(II) ion is surrounded by six water mol-ecules, with their O atoms located at the apices, exhibiting a slightly distorted octa-hedral coordination. Mg-O bond lengths range from 2.0526?(14) to 2.0965?(16)?Å [mean value = 2.068?Å]. The pyridine and tetra-zole rings are nearly coplanar and only twisted from each other by a dihedral angle of 5.68?(1)°. The zwitterionic organic mol-ecules, anions and cations are connected by O-H?Cl, O-H?N and N-H?Cl hydrogen bonds, leading to the formation of a three-dimensional network.

| S-EPMC3051589 | biostudies-literature

Tetra-hedral zinc in tetra-kis-(1-methyl-1H-imidazole-?N)zinc bis-(tetra-fluorido-borate).

Project description:In the title compound, [Zn(C(4)H(6)N(2))(4)](BF(4))(2), the Zn(II) ion is in a slightly distorted tetra-hedral coordination geometry, with Zn-N distances in the range 1.980?(2)-1.991?(2)?Å. The tetra-hedral angles are in the range 104.93?(9)-118.81?(9)°.

| S-EPMC3254349 | biostudies-literature

Tetra-kis(1H-imidazole-?N)(2-phenyl-propanedioato-?O,O)nickel(II).

Project description:In the title complex, [Ni(C(9)H(6)O(4))(C(3)H(4)N(2))(4)], the Ni(II) ion is O,O'-chelated by the phenyl-malonato ligand and coordinated by four imidazole ligands in a slightly distorted octa-hedral geometry. In the crystal structure, symmetry-related mol-ecules are linked by N-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3009345 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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