Browse
Submit Data
Databases
API
Help

Dataset Information

48 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-(2,9-dimethyl-1,10-phenanthroline-κN,N')diformato-κO,O';κO-nickel(II) monohydrate.

ABSTRACT: The asymmetric unit of the title compound, [Ni(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)]·H(2)O, contains a mononuclear complex mol-ecule hydrogen bonded to a lattice water mol-ecule. The Ni(II) atom exhibits a distorted octa-hedral coordination geometry formed by the N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, two O atoms of a chelating formate anion, one aqua O atom and one O atom of a coordinating formate anion. The mol-ecules are assembled into chains extending along [100] through by O-H⋯O hydrogen bonds. The supra-molecular chains are further linked into layers parallel to (011) by weak π-π packing inter-actions [centroid-centroid separation = 3.768 (2) Å]. The resulting layers are stacked to meet the requirement of close-packing patterns.

SUBMITTER: Xia P

PROVIDER: S-EPMC3200966 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Aqua-(2,9-dimethyl-1,10-phenanthroline-κN,N')diformato-κO,O';κO-nickel(II) monohydrate.

Xia Ping P Lin Jian-Li JL Ni Sheng-Liang SL

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9

The asymmetric unit of the title compound, [Ni(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)]·H(2)O, contains a mononuclear complex mol-ecule hydrogen bonded to a lattice water mol-ecule. The Ni(II) atom exhibits a distorted octa-hedral coordination geometry formed by the N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, two O atoms of a chelating formate anion, one aqua O atom and one O atom of a coordinating formate anion. The mol-ecules are assembled into chains extending along [100] through by O-H ...[more]

PMID: 22064793

Similar Datasets

Aqua-(2,9-dimethyl-1,10-phenanthroline-κN,N')(formato-κO,O')(formato-κO)cobalt(II) monohydrate.

Project description:The asymmetric unit of the title compound, [Co(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)]·H(2)O, contains a mononuclear complex mol-ecule hydrogen bonded to a lattice water mol-ecule. The Co(II) cation is in a distorted octa-hedral coordination environment defined by the two N atoms of the 2,9-dimethyl-1,10-phenanthroline ligand and four O atoms. Two of these are from a chelating formate anion, one from a monodentate formate and the last from an aqua ligand. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds, forming double chains along [100] with the 2,9-dimethyl-1,10-phenanthroline ligands pointing outwards from each chain. These chains are further linked into layers parallel to (011) by inter-chain π-π stacking inter-actions with centroid-centroid distances of 3.61 (1) Å.

| S-EPMC3050392 | biostudies-literature

Aqua-(2,9-dimethyl-1,10-phenanthroline-κN,N')bis-(2-hydroxy-benzoato-κO)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 π-π stacking inter-actions involving dmphen mol-ecules, with centroid-centroid separations of 3.8027 (3) and 3.6319 (3) Å.

| S-EPMC2968132 | biostudies-literature

Aqua-(2,9-dimethyl-1,10-phenanthroline-κN,N')bis-(3-hydroxy-benzoato-κO)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 π-π stacking inter-actions involving dmphen mol-ecules, with a centroid-centroid separation of 3.705 (3) Å.

| S-EPMC2977455 | biostudies-literature

Bis(benzoato-κO,O')(2,9-dimethyl-1,10-phenanthroline-κN,N')cobalt(II).

Project description:In the title compound, [Co(C(7)H(5)O(2))(2)(C(14)H(12)N(2))], the Co(II) ion is located on a twofold rotation axis and is chelated by a 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two benzoate anions in a distorted octa-hedral geometry. The crystal packing is stabilized by π-π inter-actions between parallel dmphen ligands of neighbouring mol-ecules, with a face-to-face distance of 3.411 (2) Å.

| S-EPMC2960282 | 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

(2,9-Dimethyl-1,10-phenanthroline-κN,N')bis-(2-hydroxy-benzoato-κO)copper(II).

Project description:The Cu(II) atoms in the two independent mol-ecules of the title compound, [Cu(C(7)H(5)O(3))(2)(C(14)H(12)N(2))], are each coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted tetra-hedral geometry. The crystal packing is stabilized by intra-molecular hydrogen bonding and π-π inter-actions between the dmphen rings of neighboring mol-ecules, with distances between their ring planes of 3.5670 (4) and 3.5181 (9) Å.

| S-EPMC2959880 | biostudies-literature

(2,9-Dimethyl-1,10-phenanthroline-κN,N')bis-(2-hydroxy-benzoato)-κO;κO,O'-cobalt(II).

Project description:In the title compound, [Co(C(7)H(5)O(3))(2)(C(14)H(12)N(2))], the Co(II) ion is five-coordinated by two N atoms from one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and three O atoms from two 2-hydroxy-benzoate anions in a distorted trigonal bipyramidal geometry. The carboxyl-ate group of one of the two 2-hydroxy-benzoate anions is monodentate with a normal Co-O distance [1.9804 (18) Å], while the other is bidentate with two longer Co-O bonds [2.1981 (18) and 2.1359 (19) Å]. The crystal structure is stabilized by aromatic π-π stacking inter-actions [centroid-centroid distances of 4.0380 (3) and 3.8216 (3) Å between dmphen/dmphen and benzene/dmphen rings, respectively] and C-H⋯π(benzene) inter-actions.

| S-EPMC2961220 | biostudies-literature

(2,9-Dimethyl-1,10-phenanthroline-κN,N')(4-hydroxy-benzoato-κO,O')(nitrato-κO)copper(II).

Project description:In the title compound, [Cu(C(7)H(5)O(3))(NO(3))(C(14)H(12)N(2))], the Cu(II) ion is five-coordinated in a slightly distorted square-pyramidal geometry by one O atom of a nitrate anion, two O atoms of a 4-hydroxy-benzoate anion, and two N atoms from a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand. In the crystal structure, inversion-related mol-ecules are linked into dimers by O-H⋯O hydrogen bonds. The packing is further stabilized by π-π inter-actions involving the benzene rings of the dmphen and hydroxy-benzoate units, with centroid-centroid distances of 3.4930 (14) or 3.5727 (14) Å.

| S-EPMC2959601 | biostudies-literature

Aqua-(imino-diacetato-κO,N,O')(1,10-phenanthroline-κN,N')cobalt(II) monohydrate.

Project description:The imino-diacetate dianion in the title compound, [Co(C(4)H(5)NO(4))(C(12)H(8)N(2))(H(2)O)]·H(2)O, chelates to the cobalt(II) atom, its N and two O atoms occupying the fac sites of the distorted octa-hedron around the metal atom. The metal atom is also chelated by the N-heterocycle. The dianion, and coordinated and uncoordinated water mol-ecules inter-act through hydrogen bonds, generating a layer motif. The crystal studied was a racemic twin with a 0.62 (2):0.38 (2) domain ratio.

| S-EPMC2967887 | biostudies-literature

Dichlorido(2,9-dimethyl-1,10-phenanthroline-κN,N')copper(II).

Project description:In the title compound, [CuCl(2)(C(14)H(12)N(2))], the complex molecule has m symmetry, with the mirror plane oriented parallel to the planar molecule and the ligated Cu(II) atom. The metal centre has a distorted tetra-hedral coordination formed by two N atoms from one 2,9-dimethyl-1,10-phenanthroline ligand and two Cl atoms. There is inter-molecular π-π stacking between adjacent 2,9-dimethyl-1,10-phenanthroline ligands, with a centroid-centroid distance of 3.733 (2)Å.

| S-EPMC2970365 | 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