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2,2,2-Tris(pyrazol-1-yl)ethanol.

ABSTRACT: The title compound TPE, C(11)H(12)N(6)O, was prepared by slow evaporation from diethyl ether. In the crystal, there is a hydrogen bond between the alcohol H atom and an N in the pyrazole ring of a neighboring mol-ecule.

SUBMITTER: McLauchlan CC

PROVIDER: S-EPMC3089311 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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2,2,2-Tris(pyrazol-1-yl)ethanol.

McLauchlan Craig C CC Smith Brigette L BL Pippins Reyhana S RS Nelson Brandon M BM

Acta crystallographica. Section E, Structure reports online 20110416 Pt 5

The title compound TPE, C(11)H(12)N(6)O, was prepared by slow evaporation from diethyl ether. In the crystal, there is a hydrogen bond between the alcohol H atom and an N in the pyrazole ring of a neighboring mol-ecule. ...[more]

PMID: 21754443

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Crystal structure of 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane.

Project description:The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C-H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5) inversion twin.

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(Benzonitrile-?N)chlorido[hydrido-tris(pyrazol-1-yl-?N)borato](triphenyl-phosphine-?P)ruthenium(II) ethanol solvate.

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Ethanol(nitrato)[tris-(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II).

Project description:The synthesis and structure is reported of TpPh,4CNNi(NO3)(EtOH) or [Ni(C30H19BN9)(NO3)(C2H6O)], the first half-sandwich complex of a cyano-scorpionate ligand. The pseudo-octa-hedral coordination sphere of the NiII ion is comprised of a tridentate tris-(4-cyano-3-phenyl-pyrazol-yl)borate ligand, a bidentate nitrate ligand and a neutral ethanol ligand. The phenyl substituents on the TpPh,4CN ligand are relatively parallel to the planes of the ethanol and nitrate ligands. An inter-molecular hydrogen-bonding inter-action is evident between the ethanol OH group and the pyrazole CN substituent. The ethanol ligand was modeled with a 0.572 (13)/0.428 (13) disorder of the methyl C atom.

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Bis[tris-(1H-pyrazol-1-yl-?N)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-?N)methane]-tris-(thio-cyanato-?N)nickelate(II)} methanol disolvate.

Project description:Attempts to prepare the mononuclear [(tpm)Ni(II)L(3)](-1) [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm)(2)Ni(II)][(tpm)Ni(II)(NCS)(3)](2)·2CH(3)OH or [Ni(C(10)H(10)N(6))(2)][Ni(NCS)(3)(C(10)H(10)N(6))](2)·2CH(3)OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl)methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent mol-ecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650?(3) and 0.350?(3). There are O-H?S inter-actions between the methanol and the disordered thio-cyanate anion, and a weak C-H?O hydrogen bond between the cation and the methanol O atom.

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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.

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Tris(5-methyl-3-phenyl-1H-pyrazol-1-yl)methane.

Project description:The first crystal structure of a second-generation tris-(pyrazol-yl)methane, namely the title compound, C(31)H(28)N(6), is reported. The mol-ecule exhibits a helical conformation with an average twist of 35.1°. In addition, there are C-H⋯π inter-actions of 3.202 (2) Å between the pyrazole C-H group and neighbouring phenyl groups.

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cyclo-Tris[?-5-(2-pyrid-yl)pyrazol-1-ido-?N,N:N]tris-ilver(I).

Project description:In the title compound, [Ag(3)(C(8)H(6)N(3))(3)], the asymmetric unit contains three silver cations and three depronated 5-(2-pyrid-yl)pyrazol-1-ide ligands. Each silver cation is chelated by one 5-(2-pyrid-yl)pyrazol-1-ide ligand, which also acts as a bridging ligand towards the next silver ion via the second pyrazole N atom. In summary, three silver cations and three deprotonated 3-(2-pyrid-yl)-1H-pyrazole ligands produce a macrocyclic trimeric coordination oligomer that exhibits an almost planar conformation (mean deviation 0.1483?Å). In addition, short non-bonding Ag?Ag inter-actions [3.127?(2)?Å] are observed.

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3-Ethyl-4-phen-oxy-1-(2,2,2-trifluoro-eth-yl)-1H-pyrazol-5-ol.

Project description:The title compound, C(13)H(13)F(3)N(2)O(2), crystallizes with two independent mol-ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol-ecules are 79.44?(6) and 77.81?(6)°. In the crystal, mol-ecules are linked by O?H-N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by ?-? inter-actions [centroid-centroid separations = 3.5409?(10) and 3.6335?(10)?Å].

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