Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2,9-Dimethyl-1,10-phenanthroline-?(2)N,N')bis-(thio-cyanato-?S)mercury(II).

ABSTRACT: The asymmetric unit of the title compound, [Hg(SCN)(2)(C(14)H(12)N(2))], contains two complex mol-ecules in which the Hg(II) atoms are both four-coordinated in a distorted tetra-hedral configuration by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and by two S atoms from two thio-cyanate anions. The 1,10-phenanthroline ligand is slightly folded for one complex, the dihedral angle between the pyridine planes being 5.3?(1)°. In contrast it is nearly planar [0.5?(1)°] as it complexes with the other Hg(II) atom. The thio-cyanate ligands are virtually linear and the S atom is bonded to Hg(II) with N?S-Hg angles ranging from 99.3?(1) to 103.5?(1)°. Despite the presence of six aromatic rings in the asymmetric unit, there are no significant inter-molecular ?-? contacts between phenanthroline ligands as the centroid-centroid distance of the closest contact between six-membered rings is 4.11?(1) A°.

SUBMITTER: Warad I

PROVIDER: S-EPMC3470145 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2,9-Dimethyl-1,10-phenanthroline-κ(2)N,N')bis-(thio-cyanato-κS)mercury(II).

Warad Ismail I Hadda Taibi Ben TB Hammouti Belkheir B Hammouti Belkheir B Haddad Salim F SF

Acta crystallographica. Section E, Structure reports online 20120915 Pt 10

The asymmetric unit of the title compound, [Hg(SCN)(2)(C(14)H(12)N(2))], contains two complex mol-ecules in which the Hg(II) atoms are both four-coordinated in a distorted tetra-hedral configuration by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and by two S atoms from two thio-cyanate anions. The 1,10-phenanthroline ligand is slightly folded for one complex, the dihedral angle between the pyridine planes being 5.3 (1)°. In contrast it is nearly planar [0.5 (1)°] as it c ...[more]

PMID: 23125589

Similar Datasets

[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-?N)-1,10-phenanthroline-?N,N']bis-(thio-cyanato-?N)cadmium(II).

Project description:In the title complex, [Cd(NCS)(2)(C(22)H(20)N(6))], the Cd(II) ion is in a CdN(6) coordination geometry which is inter-mediate between octa-hedral and trigonal-prismatic. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline system are 15.74?(15) and 16.30?(13)°. In the crystal, there is a ?-? stacking inter-action involving two symmetry-related pyrazole rings, with a centroid-centroid distance of 3.664?(3)?Å. In addition, there is a relatively short inter-molecular contact between C atoms [C?C = 3.399?(6)?Å] involving symmetry-related pyridine rings along the a axis.

| S-EPMC3050342 | biostudies-literature

(2,9-Dieth-oxy-1,10-phenanthroline-κN,N')bis-(thio-cyanato-κN)cobalt(II).

Project description:In the title complex, [Co(NCS)(2)(C(16)H(16)N(2)O(2))], the Co(II) ion is coordinated by two N atoms from one 2,9-dieth-oxy-1,10-phenanthroline ligand and two N atoms from two different thio-cyanate ligands in a distorted tetra-hedral environment. The Co-N bonds involving the thio-cyanate ligands are significantly shorter than the other two Co-N bonds. The atoms of one of the eth-oxy groups are essentially coplanar with the phenanthroline ring [N=C-O-C = 178.8 (4)°], while the other eth-oxy group is slightly twisted from the phenanthroline ring plane [N=C-O-C = 167.2 (4)°]. In the crystal structure, there is a weak π-π stacking inter-action between two symmetry-related phenanthroline rings with a centroid-centroid distance of 3.706 (4) Å.

| S-EPMC2959597 | biostudies-literature

Dibromido(2,9-dimethyl-1,10-phenanthroline-κN,N')mercury(II).

Project description:In the mol-ecule of the title compound, [HgBr(2)(C(14)H(12)N(2))], the Hg(II) atom is four-coordinated in a distorted tetra-hedral configuration by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand and by two Br atoms. In the crystal structure, weak inter-molecular C-H⋯Br hydrogen bonds link the mol-ecules into chains along the b axis. There are π-π contacts between the phenanthroline rings [centroid-centroid distances = 3.806 (4), 3.819 (4), 3.739 (3), 3.690 (3), 3.619 (4) and 3.674 (3) Å].

| S-EPMC2977550 | biostudies-literature

Dichlorido(2,9-dimethyl-1,10-phenanthroline-?(2)N,N')mercury(II).

Project description:The title compound, [HgCl(2)(C(14)H(12)N(2))], consists of one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand chelating the Hg(II) ion and two chloride ligands coordinating to the Hg(II) ion, forming a distorted tetra-hedral environment. The dmphen ligand is nearly planar (r.m.s. deviation = 0.0225?Å). The dihedral angle between the normal to the plane defined by the Hg(II) atom and the two Cl atoms and the normal to the plane of the dmphen ring is 81.8?(1)°.

| S-EPMC3569203 | biostudies-literature

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(2-hydroxy-benzoato-?O)manganese(II) 2,9-dimethyl-1,10-phenanthroline hemisolvate.

Project description:In the asymmetric unit of the title complex, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·0.5C(14)H(12)N(2), the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule, one water mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted trigonal-bipyramidal geometry. The OH group of the 2-hydroxy-benzoate anion is disordered over two positions with site-occupancy factors of 0.5. The asymmetric unit is completed with by an uncoordinated half-mol-ecule of dmphen, disordered about a crystallographic twofold axis. In the crystal structure, mol-ecules are linked into a two-dimensional framework by O-H?N, O-H?O and C-H?O hydrogen bonds. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with centroid-centroid separations of 3.8027?(3) and 3.6319?(3)?Å.

| S-EPMC2968132 | biostudies-literature

(2,9-Dimethyl-4,7-diphenyl-1,10-phen-anthroline-?N,N')bis-(thio-cyanato-?S)mercury(II).

Project description:In the mol-ecule of the title compound, [Hg(NCS)(2)(C(26)H(20)N(2))], the Hg(II) atom is four-coordinated in a distorted tetra-hedral configuration by two N atoms from a chelating 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline ligand and by two S atoms from two thio-cyanate anions. The ligand ring system is not planar. The dihedral angle between the phenyl rings is 53.20?(3)° . In the crystal structure, ?-? contacts between phenanthroline rings [centroid-centroid distance = 3.981?(1)?Å] may stabilize the structure.

| S-EPMC2969232 | biostudies-other

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(3-hydroxy-benzoato-?O)manganese(II)-2,9-dimethyl-1,10-phenanthroline-water (1/1/1).

Project description:In the title compound, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·C(14)H(12)N(2)·H(2)O, the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two monodentate 3-hydroxy-benzoate anions (3-HBA) and one water mol-ecule in a distorted trigonal-bipyramidal environment. An uncoordinated dmphen and an uncoordinated water mol-ecule cocrystallized with each complex mol-ecule. Intra- and inter-molecular O-H?N and O-H?O hydrogen bonds are also present between the coordinated 3-HBA and water mol-ecules and the uncoordinated dmphen and water mol-ecules in the crystal. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with a centroid-centroid separation of 3.705?(3)?Å.

| S-EPMC2977455 | biostudies-literature

cis-Bis(1,10-phenanthroline-?N,N')bis-(thio-cyanato-?N)magnesium(II).

Project description:The title compound, [Mg(NCS)(2)(C(12)H(8)N(2))(2)], has been synthesized from the hydro-thermal reaction of MgCl(2), KSCN, 1,10-phenanthroline and H(2)O. Its structure is isotypic with the Mn(II), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) analogues. The Mg(II) cation has a slightly distorted octa-hedral geometry containing four N atoms from two 1,10-phenanthroline mol-ecules and two N atoms from two thio-cyanate anions. The asymmetric unit contains one-half mol-ecule, and the complete complex has 2 symmetry.

| S-EPMC3007504 | biostudies-literature

Dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-?N,N')mercury(II) acetonitrile hemisolvate.

Project description:The asymmetric unit of the title compound, [HgCl(2)(C(26)H(20)N(2))]·0.5CH(3)CN, contains two crystallographic-ally independent [HgCl(2)(C(26)H(20)N(2))] mol-ecules and one acetonitrile solvent mol-ecule. The Hg(II) atoms are four-coordin-ated in distorted tetra-hedral configurations by two N atoms from 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline ligands and two Cl atoms. The ligand ring systems are not planar. The phenyl rings are oriented at dihedral angles of 74.61?(3) and 66.00?(3)° in the two molecules. In the crystal structure, ?-? contacts between phenanthroline rings [centroid-centroid distances = 3.809?(1), 3.686?(1), 3.986?(1), 3.877?(1), 3.697?(1), 3.789?(1), 3.745?(1), 3.797?(1) and 3.638?(1)?Å] may stabilize the structure.

| S-EPMC2977193 | biostudies-literature

Bis(2,9-dimethyl-1,10-phenanthroline-κN,N')bis-(nitrato-κO,O')lead(II).

Project description:In the title complex, [Pb(NO(3))(2)(C(14)H(12)N(2))(2)], the lead ion is chelated by two 2,9-dimethyl-1,10-phenanthroline (dmphen) ligands and two nitrate anions in a slightly distorted square-anti-prismatic geometry. Intra- and inter-molecular π-π stacking is present in the crystal structure, and the centroid-centroid distances between the benzene and pyridine rings of adjacent dmphen ligands are 3.492 (3) and 3.592 (3) Å, respectively. Inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions help to stabilize the crystal structure.

| S-EPMC3006962 | 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