Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Di-2-pyridyl-amine-κN,N')[hydro-tris-(3,5-diphenyl-pyrazol-1-yl-κN)borato]nickel(II) bromide dichloro-methane monosolvate.

ABSTRACT: In the title compound, [Ni(C(45)H(34)BN(6))(C(10)H(9)N(3))]Br·CH(2)Cl(2), the Ni(II) atom is five-coordinated by the tridentate hydro-tris-(3,5-diphenyl-pyrazol-yl)borate ligand and a bidentate di-2-pyridyl-amine ligand in a distorted square-pyramidal geometry. In the crystal, inter-molecular N-H⋯Br and C-H⋯Br hydrogen bonds link the Ni complex cations and the Br(-) ions, forming a chain along the c axis.

SUBMITTER: Harding DJ

PROVIDER: S-EPMC3099946 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

[Tris(3,5-diphenyl-pyrazol-yl)hydro-borato]nickel(II) bromide.

Project description:In the title tris-(pyrazol-yl)borate (Tp(Ph2)) complex, [NiBr(C(45)H(34)BN(6))], the Ni, Br and B atoms lie on a crystallographic threefold axis and a distorted NiN(3)Br tetra-hedral geometry arises for the metal ion. In the crystal, C-H?(C=C) and C-H?? inter-actions help to establish the polar crystal packing.

| S-EPMC2969450 | biostudies-literature

(4-tert-Butyl-pyridine)-chlorido[hydro-tris-(3,5-dimethyl-pyrazol-1-yl)borato]nitro-sylmolybdenum(I) dichloro-methane monosolvate.

Project description:In the title compound, [Mo(C(15)H(22)BN(6))Cl(NO)(C(9)H(13)N)]·CH(2)Cl(2), the Mo(I) atom adopts a distorted MoClN(5) octa-hedral geometry with the hydro-tris-(3,5-dimethyl-pyrazol-yl)borate anion in an N,N',N''-tridentate tripodal (facial) coordination mode. A 4-tert-butyl-pyrine ligand, chloride anion and a nitrosyl cation complement the coodination of the Mo(I) atom and an intra-molecular C-H?Cl hydrogen bond helps to stabilize the configuration of the complex mol-ecule. The packing is stabilized by an inter-molecular C-H?Cl hydrogen bond involving the complex mol-ecule and the CH(2)Cl(2) solvent mol-ecule.

| S-EPMC3011577 | biostudies-literature

Dichlorido(3,5-dimethyl-1H-pyrazole-κN)[hydro-tris-(3,5-dimethyl-1H-pyrazol-1-yl-κN)borato]chromium(III) tetra-hydro-furan mono-solvate.

Project description:In the title compound, [Cr(C(15)H(22)BN(6))Cl(2)(C(5)H(8)N(2))]·C(4)H(8)O, the Cr(III) atom is coordinated by three N atoms from the hydro-tris-(3,5-dimethyl-pyrazol-1-yl)borate (Tp*) ligand, one 3,5-dimethyl-pyrazole (Dmpy) N atom and two Cl atoms in a distorted octa-hedral coordination geometry. Two N atoms occupy the axial sites, and the two Cl atoms and other two N atoms from Tp* lie in the equatorial plane. In the crystal, the complex mol-ecules and tetra-hydro-furan solvent mol-ecules are connected via inter-molecular N-H⋯O and C-H⋯O inter-actions.

| S-EPMC3051926 | biostudies-literature

Chlorido[1-(2-oxidophen-yl)ethyl-idene][tris-(3,5-dimethyl-pyrazol-1-yl)hydro-borato]iridium(III) chloro-form monosolvate.

Project description:In the title compound, [Ir(C15H22BN6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octa-hedral geometry by three facial N atoms, one C atom, one O atom and one Cl atom. The Ir=Ccarbene bond is strong and short and exerts a notable effect on the trans-Ir-N bond, which is about 0.10 Å longer than the two other Ir-N bonds. The chloro-form solvent mol-ecule is anchored via a weak C-H⋯Cl hydrogen bond to the Cl atom of the Ir complex mol-ecule. In the crystal, the constituents adopt a layer-like arrangement parallel to (010) and are held together by weak inter-molecular C-H⋯Cl hydrogen bonds, as well as weak Cl⋯Cl [3.498 (2) Å] and Cl⋯π [3.360 (4) Å] inter-actions. A weak intra-molecular C-H⋯O hydrogen bond is also observed.

| S-EPMC3629499 | biostudies-literature

Carbon-yl[tris-(3,5-diphenyl-pyrazol-1-yl-?N)methane]copper(I) hexa-fluorido-phosphate-dichloro-methane-diethyl ether (4/3/1).

Project description:In the title compound, [Cu(C(46)H(34)N(6))(CO)]PF(6)·0.75CH(2)Cl(2)·0.25C(4)H(10)O, the Cu(I) atom is coordinated by three N atoms from the tridentate chelating tris-(3,5-diphenyl-pyrazol-1-yl)methane ligand (average Cu-N distance = 2.055?Å) and the C atom from a carbon monoxide ligand in a distorted tetra-hedral coordination geometry. The average N-Cu-N angle between adjacent pyrazole-ring-coordinated N atoms is 88.6°, while the average N-Cu-C angle between the pyrazole-bound N atom and the C atom of carbon monoxide is 126.3°. One of the 3-phenyl rings of the tris-(pyrazol-yl)methane ligand is disordered over two sites each with an occupancy factor of 0.50. The structure also exhibits disorder of the monosolvate that has been modeled with 0.75 CH(2)Cl(2) and 0.25 Et(2)O occupancy.

| S-EPMC2971318 | biostudies-literature

[Hydridotris(pyrazol-1-yl-κN(2))borato]bis-(methyl-amino-κN)(triphenyl-phos-phine-κP)ruthenium(II) chloride dichloro-methane solvate monohydrate.

Project description:The title salt, [Ru(Tp)(CH(5)N)(2)(PPh(3))]Cl·CH(2)Cl(2)·H(2)O [where Tp is (C(3)H(3)N(2))(3)BH and PPH(3) is C(18)H(15)P], has the Ru(III) atom in an octa-hedral geometry; one of the Ru-N(Tp) bonds [2.135 (8) Å] is slightly longer than another two, owing to the trans influence of PPh(3) ligand. N-H⋯Cl and O-H⋯Cl hydrogen bonding leads to the formation of layers parallel to (100).

| S-EPMC3515107 | biostudies-literature

Bis(3-methyl-phenolato-κO)(nitros-yl-κN)[tris-(3,5-dimethyl-pyrazol-1-yl-κN)hydridoborato]molybdenum(II).

Project description:The title complex, [Mo(C(15)H(22)BN(6))(C(7)H(7)O)(2)(NO)], contains an {MoNO}(4) core stabilized by κ(3)--hydrotris-(3,5-dimethyl-pyrazol-1-yl)borate, [Tp(Me2)](-), and two anionic m-cresolate ligands, leading to a distorted octa-hedral geometry for the Mo atom. The short Mo-O bond lengths [1.935 (2) and 1.971 (2) Å], as well as large Mo-O-Csp(2) angles [134.2 (2) and 143.54 (19)°], indicate dπ(Mo)-pπ(O) inter-actions, which are clearly weaker when compared with {Mo(NO)(Tp(Me2))} alkoxides. The nitrosyl system is virtually linear [179.3 (3)°] with Mo-N and N-O bond lengths of 1.760 (2) and 1.205 (3) Å, respectively. Intra- and inter-molecular C-H((Ph or CH(3)))⋯π((Ph)) inter-actions between adjacent phenyl rings are found in the crystal structure (d(H⋯Ph) in the range 2.743-2.886 Å). One of the Ph rings shows disorder, i.e. swinging in the ring plane.

| S-EPMC2983427 | biostudies-literature

(Ammine)(carbon-yl)[hydridotris(pyrazol-1-yl-κN(2))borato](triphenyl-phosphine-κP)ruthenium(II) chloride dichloro-methane disolvate.

Project description:In the title compound, [Ru(CO)(NH(3))(C(9)H(10)BN(6))(C(18)H(15)P)]Cl·2CH(2)Cl(2), the coordination environment around the Ru(II) atom is distorted octa-hedral. One of the Ru-N(Tp) [Tp = hydridotris(pyrazol-1-yl)borate] bond lengths is slightly longer than the other two as a result of the influence of the trans CO ligand. In the crystal, N-H⋯Cl hydrogen bonds link the complex cations and Cl(-) anions. π-π inter-actions between the pyrazole rings [centroid-centroid distance = 3.764 (3) Å] are also present.

| S-EPMC3515116 | biostudies-literature

(Butane-1,4-di-yl)(trimethyl-phosphane-?P)[tris-(3,5-dimethyl-pyrazol-1-yl-?N (2))hydro-borato]iridium(III).

Project description:In the mononuclear title iridium(III) complex, [Ir(C4H8)(C15H22BN6)(C3H9P)], which is based on the [tris-(3,5-dimethyl-pyrazol-1-yl)hydro-borato]iridium moiety, Ir[Tp(Me2)], the Ir(III) atom is coordinated by a chelating butane-1,4-diyl fragment and a trimethyl-phosphane ligand in a modestly distorted octa-hedral coordination environment formed by three facial N, two C and one P atom. The iridium-butane-1,4-diyl ring has an envelope conformation. This ring is disordered because alternately the second or the third C atom of the butane-1,4-diyl fragment function as an envelope flap atom (the occupancy ratio is 1:1). In the crystal, mol-ecules are organized into densely packed columns extending along [101]. Coherence between the mol-ecules is essentially based on van der Waals inter-actions.

| S-EPMC3647789 | biostudies-literature

Bis(4-cyano-phenolato)[hydro-tris-(3,5-dimethyl-pyrazol-yl)borato]nitro-syl-molybdenum(II)-4-hydroxy-benzonitrile-dichloro-methane (1/1/1).

Project description:In the title compound, [Mo(C(15)H(22)BN(6))(C(7)H(4)NO)(2)(NO)]·C(7)H(5)NO·CH(2)Cl(2), the central Mo(II) atom adopts a distorted cis-MoO(2)N(4) octa-hedral geometry with the hydro-tris-(3,5-dimethyl-pyrazolylborate) anion attached to the metal in an N,N',N''-tridentate tripodal coordination mode. Two O-bonded 4-cyano-phenolate anions and a nitrosyl cation complete the coodination of the Mo(II) atom. Two intra-molecular C-H?O and one C-H?N hydrogen bonds help to establish the configuration of the complex mol-ecule. The crystal structure is stabilized by inter-molecular C-H?N and C-H?O hydrogen bonds.

| S-EPMC3011797 | biostudies-other

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