Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Carbazol-9-ido-κN)di-chlorido-(η⁵:η¹-2,3,4,5-tetra-methyl-penta-fulvene)tantalum(V).

ABSTRACT: The reaction of (η⁵:η¹-2,3,4,5-tetra-methyl-penta-fulvene)tantalum(V) dicarbazolide chloride (1) with etheric HCl results in the formation of the title compound (2), [Ta(C₁₀H₁₄)(C₁₂H₈N)Cl₂]. The Ta^V atom has a distorted tetra-hedral coordination environment in a three-legged piano-stool fashion. The conformation of the penta-fulvene exocyclic C atom to the three other ligands is staggered and not eclipsed, as found in the crystal structure of 1. Inter-molecular inter-actions include π-π stacking, H⋯π inter-actions and weak C-H⋯Cl hydrogen bonds.

SUBMITTER: de Graaff S

PROVIDER: S-EPMC9815124 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Carbazol-9-ido-κN)di-chlorido-(η5:η1-2,3,4,5-tetra-methyl-penta-fulvene)tantalum(V).

de Graaff Simon S Elma Aylişa A Schmidtmann Marc M Beckhaus Rüdiger R

IUCrData 20221223 Pt 12

The reaction of (η5:η1-2,3,4,5-tetra-methyl-penta-fulvene)tantalum(V) dicarbazolide chloride (1) with etheric HCl results in the formation of the title compound (2), [Ta(C10H14)(C12H8N)Cl2]. The TaV atom has a distorted tetra-hedral coordination environment in a three-legged piano-stool fashion. The conformation of the penta-fulvene exocyclic C atom to the three other ligands is staggered and no ...[more]

PMID: 36628193

Similar Datasets

Bis(2,4-dioxo-5,5-diphenyl-imidazol-idin-ido-κN)bis-(propane-1,3-diamine-κN,N')cobalt(II).

Project description:The complex mol-ecule of the title compound, [Co(C(15)H(11)N(2)O(2))(2)(C(3)H(10)N(2))(2)], has crystallographically imposed inversion symmetry. The Co(II) atom displays a distorted octa-hedral coordination geometry. In the phenytoin anion, the two phenyl rings form dihedral angles of 62.26 (8) and 57.47 (9)° with the central imidazole ring. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds occur. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds forming a three-dimensional network.

| S-EPMC3238769 | biostudies-literature

catena-Poly[[trimethyl-tin(IV)]-μ-1,2,3-benzotriazol-1-ido-κN:N].

Project description:In the title coordination polymer, [Sn(CH(3))(3)(C(6)H(4)N(3))](n), the Sn(IV) atom is five-coordinated in a distorted trigonal-bipyramidal geometry with the methyl groups in equatorial positions and two N atoms of two symmetry-related benzotriazolide anions in axial positions. The anion bridges adjacent metal atoms, forming zigzag polymeric chains parallel to [011] and [0[Formula: see text]1].

| S-EPMC3274898 | biostudies-literature

Bis[3-(pyrazin-2-yl)-5-(pyridin-2-yl-κN)-1,2,4-triazol-1-ido-κN(1)]copper(II).

Project description:In the mononuclear title complex, [Cu(C(11)H(7)N(6))(2)], the Cu(II) atom lies on a crystallographic inversion centre and is coordinated by four N atoms from two bidentate chelate monoanionic 3-(pyrazin-2-yl)-5-(pyridin-2-yl-1,2,4-triazol-1-ido ligands, two from the triazolide rings [Cu-N = 1.969 (2) Å] and two from the pyridine rings [Cu-N = 2.027 (2) Å], giving a slightly distorted square-planar geometry.

| S-EPMC3344390 | biostudies-literature

mer-[3-Phenyl-5-(2-pyridyl-κN)-1,2,4-triazol-1-ido-κN]bis-(2-quinolylphenyl-κC,N)iridium(III) deuterochloro-form disolvate.

Project description:In the title compound, [Ir(C(13)H(9)N(4))(C(15)H(10)N)(2)]·2CDCl(3), the coordination at iridium is octa-hedral, but with narrow ligand bite angles ranging from 74.85 (8) to 83.99 (8)°. The bond lengths at iridium show the expected trans influence, with Ir-N trans to C being appreciably longer than trans to N. The chelate rings are mutually perpendicular to a reasonable approximation [interplanar angles ranging from 77.79 (6) to 83.93 (7)°]. All ligands are approximately planar; the maximum inter-planar angles within ligands are ca 12°. One CDCl(3) solvent molecule is severly disordered and was excluded from the refinement.

| S-EPMC3009293 | biostudies-literature

trans-Bis(ethyl-enediamine-κN,N')bis-(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ,3-oxathia-zin-3-ido-κN)copper(II).

Project description:In the crystal structure of the title compound, [Cu(C(4)H(4)NO(4)S)(2)(C(2)H(8)N(2))(2)], the Cu(2+) ion resides on a centre of symmetry. The environment of Cu(2+) ion is a distorted octa-hedron. The axial bond lengths between the Cu(II) ion and the N atoms are considerably longer than the equatorial bond distances between the Cu(II) ion and the N atoms of the ethyl-enediamine ligand as a consequence of the Jahn-Teller effect. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O hydrogen bonds. In the crystal, mol-ecules are connected by inter-molecular N-H⋯O hydrogen bonds into chains running along the a axis.

| S-EPMC3254316 | biostudies-literature

Diaqua-bis-{3-[4-(1H-imidazol-1-yl)phenyl]-5-(pyridin-2-yl-κN)-1H-1,2,4-triazol-1-ido-κN(1)}zinc.

Project description:The centrosymmetric mol-ecule of the title compound, [Zn(C(16)H(11)N(6))(2)(H(2)O)(2)], contains one Zn(2+) ion located on a center of symmetry, two 3-[4-(1H-imidazol-1-yl)phen-yl]-5-(pyridin-2-yl)-1H-1,2,4-triazol-1-ide (Ippyt) ligands and two coordinating water mol-ecules. The Zn(II) ion is six-coordinated in a distorted octa-hedral coordination geometry by four N atoms from two Ippyt ligands and by two O atoms from two water mol-ecules. Adjacent units are inter-connected though O-H⋯N hydrogen bonds, forming a three-dimensional network.

| S-EPMC3435604 | biostudies-literature

(Ethyl-enediamine-κ(2)N,N)bis[2-(pyridin-2-yl-κN)-1,3-imidazol-1-ido-κN(1)]cobalt(III) nitrate monohydrate.

Project description:In the title compound, [Co(C(8)H(6)N(3))(2)(C(2)H(8)N(2))]NO(3)·H(2)O, the Co(III) ion is coordinated by four N atoms from two 2-(pyridin-2-yl)-1,3-imidazol-1-ide ligands and two N atoms of ethyl-enediamine in a distorted octa-hedral geometry. In the crystal, classical N-H⋯N(O) and O-H⋯N(O) hydrogen bonds connect all the isolated components together to yield a three-dimensional structure.

| S-EPMC3435583 | biostudies-literature

Diaqua-bis-{5-(pyridin-2-yl-κN)-3-[4-(pyri-din-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-κN (1)}zinc.

Project description:The asymmetric unit of the title compound, [Zn(C18H12N5)2(H2O)2], consists a Zn(II) ion, located on an inversion center, a deprotonated 5-pyridin-2-yl-3-[4-(pyridin-4-yl)phen-yl]-1H-1,2,4-triazol-1-ido ligand and a water mol-ecule. The whole mol-ecule is generated by inversion symmetry. The Zn(II) ion has a distorted octa-hedral coordination geometry, defined by four N atoms from the two deprotonated organic ligands and two water O atoms. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC3629490 | biostudies-literature

rac-(OC-6-33)-bis-[2-(N-Benzyl-methyl-imino-meth-yl-κN)-1H-imidazol-1-ido-κN]bis(ethyl-amido)-titanium(IV).

Project description:The title compound, [[Ti(C(2)H(10)N)(2)(C(11)H(10)N(3))(2)] or Ti(C(11)H(10)N(3))(2)(NEt(2))(2)], was prepared by direct reaction of 2-(N-phenyl-methyl-imino-meth-yl)-1H-imidazole and [Ti(NEt(2))(4)]. The Ti(IV) atom is in a pseudo-octa-hedral coordination environ-ment with the imidazolido-group N-atoms occupying apical positions and amido- and imino-N-atoms cis-located in the equatorial plane. The presence of two bidentate chelating ligands determines the chirality of the Ti(IV) atom. The crystallographically independent unit, except for its phenyl rings, adopts nearly pseudo-C(2) symmetry (rotation around a twofold axis passing through the Ti atom and the centre of the imino-N⋯imino-N segment). The Ti-N(amido), Ti-N(imidazolido), and Ti-N(imino) bond lengths essentially differ, increasing by approximately 0.2 Å in the series. All ligating N atoms are in a nearly planar environment, which is indicative of additional pπ-dπ donations towards the metal atom. The two diaza-metallacyclic units are planar within 0.03 and 0.05 Å.

| S-EPMC3089066 | biostudies-literature

{2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-κN)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-κN}difluoridoboron.

Project description:In an effort to discover novel and potential boron-dipyrromethene (BODIPY) dyes, the title compound, C(19)H(18)BF(2)N(3)O(2), was prepared from 2,4-dimethyl-pyrrole, 4-nitro-benzaldehyde and BF(3)·Et(2)O in a one-pot reaction. There are two independent mol-ecules, A and B, in the asymmetric unit in which the dihedral angles between the benzene ring and boron-dipyrromethene mean plane have significantly different values [82.71 (8)° for mol-ecule A and 73.16 (8)° for mol-ecule B]. Inter-molecular C-H⋯π inter-actions help to stabilize the crystal structure.

| S-EPMC3254419 | biostudies-literature