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(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

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[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?? [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

(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

Bis[bis-(3,5-dimethyl-1H-pyrazol-1-yl)-borato]cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(10)H(16)BN(4))(2)], comprises one unit of the complex. The geometry around the Co(II) ion is a distorted tetra-hedron. The dihedral angles between the pyrazole rings in the two ligands are 47.19 (15) and 47.20 (16)°, while that between the coordination planes is 79.77 (7)°.

| S-EPMC3151970 | biostudies-literature

cis-Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))ethanamine-?N]palladium(II) dichloro-methane monosolvate.

Project description:In the title compound, [PdCl(2)(C(7)H(13)N(3))]·CH(2)Cl(2), the 2-(3,5-dimethyl-1H-pyrazol-1-yl)ethanamine ligand chelates the Pd(II) atom via two N atoms forming a six-membered ring resulting in a distorted square-planar metal coordination environment, highlighted by N-Pd-Cl angles of 172.63?(8) and 174.98?(9)°. In addition to N-H?Cl hydrogen bonds creating infinite chains along [001], several C-H?Cl inter-actions are observed in the crystal structure.

| S-EPMC3414152 | biostudies-literature

Triazido-[tris-(2-pyridyl-κN)methyl-amine]cobalt(III).

Project description:The title compound, [Co(N(3))(3)(C(16)H(14)N(4))], was synthesized by hydro-thermal reaction of [Co(NH(3))(6)](NO(3))(3), NaN(3) and tris-(2-pyrid-yl)methyl-amine. The structure contains two independent complexes in the asymmetric unit, with closely comparable geometry. The Co(III) atoms are hexa-coordinated by three N atoms from the tridentate tris-(2-pyrid-yl)methyl-amine ligands and three azide ions in a fac arrangement. N-H⋯N hydrogen bonds are formed between the amino group and the uncoordinated terminal N atoms of the azide ligands.

| S-EPMC2959905 | biostudies-literature

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