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(Z)-3-Ferrocenyl-2-(4-pyridyl)-propene-nitrile.

ABSTRACT: In the title compound, [Fe(C(5)H(5))(C(13)H(9)N(2))], the pyridine ring makes a dihedral angle of 9.91 (17)° with the substituted cyclo-penta-dienyl ring and the double bond adopts a Z configuration. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link the molecules into a one-dimensional chain in the a+c direction.

SUBMITTER: Fu XQ

PROVIDER: S-EPMC2961982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(Z)-3-Ferrocenyl-2-(3-pyrid-yl)-acrylo-nitrile.

Project description:The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(9)N(2))], (I), is analogous to that of the compound (Z)-3-ferrocenyl-2-phenyl-acrylonitrile [Cao & Ye (2008). Acta Cryst. E64, m822], (II), with the pyridine ring in (I) replacing the benzene ring in (II). While the corresponding bond distances and angles in the two compounds show no significant differences, the two dihedral angles between the planes through the acrylonitrile group and the two rings attached to it (substituted Cp and pyridine) of 16.8?(4) and 20.1?(4)° in (I) are different from the corresponding dihedral angles [19.6?(3) and 6.5?(4)°] in (II). The unsubstituted ring is disordered over two positions, with site-occupancy factors of 0.70?(1) and 0.30?(1). The major and minor components of the disordered ring are almost coplanar and are also parallel to the substituted cyclo-penta-diene ring plane, with a dihedral angle of 0.3?(6)°.

| S-EPMC2960549 | biostudies-literature

Crystal structure of tri-chlorido-(4'-ferrocenyl-2,2':6',2''-terpyridine-κ(3) N,N',N'')iridium(III) aceto-nitrile disolvate.

Project description:In the title compound, [FeIr(C5H5)(C20H14N3)Cl3]·2CH3CN, the central Ir(III) atom is sixfold coordinated by three chloride ligands and three terpyridine N atoms in a slightly distorted octa-hedral fashion. The terpyridine ligand is functionalized at the 4'-position with a ferrocenyl group, the latter being in an eclipsed conformation. In the crystal, mol-ecules are stacked in rows parallel to [001], with the aceto-nitrile solvent mol-ecules situated between the rows. An extensive network of intra- and inter-molecular C-H⋯Cl inter-actions is present, stabilizing the three-dimensional structure.

| S-EPMC4350693 | biostudies-literature

Ferrocenyl-Pyrenes, Ferrocenyl-9,10-Phenanthrenediones, and Ferrocenyl-9,10-Dimethoxyphenanthrenes: Charge-Transfer Studies and SWCNT Functionalization.

Project description:The synthesis of 1-Fc- (3), 1-Br-6-Fc- (5 a), 2-Br-7-Fc- (7 a), 1,6-Fc2 - (5 b), 2,7-Fc2 -pyrene (7 b), 3,6-Fc2 -9,10-phenanthrenedione (10), and 3,6-Fc2 -9,10-dimethoxyphenanthrene (12; Fc=Fe(η5 -C5 H4 )(η5 -C5 H5 )) is discussed. Of these compounds, 10 and 12 form 1D or 2D coordination polymers in the solid state. (Spectro)Electrochemical studies confirmed reversible Fc/Fc+ redox events between -130 and 160 mV. 1,6- and 2,7-Substitution in 5 a (E°'=-130 mV) and 7 a (E°'=50 mV) influences the redox potentials, whereas the ones of 5 b and 7 b (E°'=20 mV) are independent. Compounds 5 b, 7 b, 10, and 12 show single Fc oxidation processes with redox splittings between 70 and 100 mV. UV/Vis/NIR spectroelectrochemistry confirmed a weak electron transfer between FeII /FeIII in mixed-valent [5 b]+ and [12]+ . DFT calculations showed that 5 b non-covalently interacts with the single-walled carbon nanotube (SWCNT) sidewalls as proven by, for example, disentangling experiments. In addition, CV studies of the as-obtained dispersions confirmed exohedral attachment of 5 b at the SWCNTs.

| S-EPMC7064959 | biostudies-literature

catena-Poly[[[aqua-(di-2-pyridyl-amine-?N,N)manganese(II)]-?-5-ferrocenyl-benzene-1,3-dicarboxyl-ato-?O,O:O] methanol monosolvate monohydrate].

Project description:In the title coordination polymer, {[FeMn(C(5)H(5))(C(13)H(7)O(4))(C(10)H(9)N(3))(H(2)O)]·CH(3)OH·H(2)O}(n), the Mn(II) ion has a distorted octa-hedral coordination geometry and is ligated by two N atoms from two di-2-pyridyl-amine mol-ecules, three O atoms from two 5-ferrocenyl-benzene-1,3-dicarboxyl-ate anions and one O atom from a coordinated water mol-ecule. The Mn-O distances range from 2.151?(2) to 2.5093?(19)?Å, while the Mn-N distances are 2.226?(2) and 2.248?(2)?Å. Each 5-ferrocenyl-benzene-1,5-dicarboxyl-ate anion links to two Mn(II) ions, resulting in a chain along the b axis. A three-dimensional network of N-H?O and O-H?O hydrogen bonds helps to stabilize the crystal packing.

| S-EPMC3152059 | biostudies-literature

Nitrile-metabolizing Bacteria

Project description:Two nitrile-metabolizing bacteria isolated from two major landfills in Lagos, Nigeria Genome sequencing and assembly

| PRJNA1043449 | ENA

Ferrocenyl-phospho-nic acid.

Project description:In the title compound, [Fe(C(5)H(5))(C(5)H(6)O(3)P)], the phosphate group is bonded to the ferrocene unit with a P-C bond length of 1.749?(3)?Å. In the crystal, six ferrocenyl-phospho-nic acid mol-ecules are connected by 12 strong inter-molecular O-H?O hydrogen bonds, leading to the formation of a highly distorted octa-hedral cage. The volume of the octa-hedral cage is about 270?Å(3).

| S-EPMC3212161 | biostudies-literature

Design of stereoselective Ziegler-Natta propene polymerization catalysts.

Project description:After five decades of largely serendipitous (albeit formidable) progress, catalyst design in Ziegler-Natta olefin polymerization, i.e., the rational implementation of new active species to target predetermined polyolefin architectures, has ultimately become a realistic ambition, thanks to a much deeper fundamental understanding and major advances in the tools of computational chemistry. In this article, we discuss, as a case history, a unique class of stereorigid C2-symmetric bis(phenoxy-amine)Zr(IV) catalysts with controlled kinetic behavior. A large variety of polypropylene microstructures have been obtained with these catalysts by modulating the steric demand of one key substituent, without altering the nature and symmetry of the ancillary ligand framework, under the guidance of computer modeling. This unusual achievement is relevant per se and for the perspective implications in catalyst discovery.

| S-EPMC1622825 | biostudies-literature

A persistent (amino)(ferrocenyl)carbene().

Project description:Deprotonation of N,N-diisopropyl-C-ferrocenylaldiminium triflate 2 cleanly leads to the corresponding 1,2-diamino-1,2-diferrocenylethene 3, the dimer of the desired (amino)(ferrocenyl)carbene. Fulvene 6, obtained by addition of the lithium salt of tetramethylcyclopentadiene to methoxyformamidinium methylsulfate 5, reacts with dicarbonylcyclopentadienylbromoiron(II), and with a mixture of FeCl(2) and Cp* lithium salt, affording the corresponding tetramethylferrocenylaldiminium salt 7, and nonamethylferrocenylaldiminium salt 8, respectively. Although the deprotonation of 7 gives a complex mixture of products, the treatment of 8 at -78 °C with sodium hexamethyldisilazide allowed for the isolation of the corresponding (amino)(ferrocenyl)carbene 9 as a yellow powder. However, even in the solid state, it is stable for less than 48 h at -20 °C. In addition to NMR spectroscopy, evidence for the carbene nature of 9 was found by a trapping experiment with sulfur that leads to the corresponding adduct 10, which was characterized by a single crystal X-ray diffraction study.

| S-EPMC3374656 | biostudies-literature

N'-Ferrocenyl-2-hydroxy-benzohydrazide.

Project description:The title complex, [Fe(C(5)H(5))(C(13)H(11)N(2)O(3))], was prepared via self-assembly using ferrocenyl hydrazide and ethyl salicylate. The compound is potentially a tridentate ferrocene-based ligand. The conformation of the mol-ecule allows the formation of an intra-molecular N-H⋯O hydrogen bond involving the hydroxyl group. The CONHNHCO unit and the rings bonded to it are nearly coplanar. The crystal structure is stabilized by inter-molecular O-H⋯O(carbon-yl) and N-H⋯O(carbon-yl) hydrogen bonds.

| S-EPMC2915112 | biostudies-literature

Ferrocenyl-substituted tetrahydrothiophenes via formal [3 + 2]-cycloaddition reactions of ferrocenyl thioketones with donor-acceptor cyclopropanes.

Project description:Ferrocenyl thioketones reacted with donor-acceptor cyclopropanes in dichloromethane at room temperature in the presence of catalytic amounts of Sc(OTf)3 yielding tetrahydrothiophene derivatives, products of formal [3 + 2]-cycloaddition reactions, in moderate to high yields. In all studied cases, dimethyl 2-arylcyclopropane dicarboxylates reacted with the corresponding aryl ferrocenyl thioketones in a completely diastereoselective manner to form single products in which (C-2)-Ar and (C-5)-ferrocenyl groups were oriented in a cis-fashion. In contrast, the same cyclopropanes underwent reaction with alkyl ferrocenyl thioketones to form nearly equal amounts of both diastereoisomeric tetrahydrothiophenes. A low selectivity was also observed in the reaction of a 2-phthalimide-derived cyclopropane with ferrocenyl phenyl thioketone.

| S-EPMC7296194 | biostudies-literature

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