1-Benzoyl-3,3-dibutyl­thio­urea

The title mol­ecule, C16H24N2OS, is twisted about the central N(H)—C bond with a C—N(H)—C—N torsion angle of −62.67 (15)°. The carbonyl group is twisted out of the plane of the benzene ring, forming a C—C—C=O torsion angle of −25.06 (17)°. In the crystal, mol­ecules related by centres of symmetry are linked by pairs of inter­molecular N—H⋯S hydrogen bonds, forming eight-membered {⋯HNCS}2 synthons. These are further connected by weak via C—H⋯O contacts, forming a two-dimensional array in the bc plane

Nonthermal plasma assisted photocatalytic oxidation of dilute benzene

Oxidative decomposition of low concentrations (50-1000 ppm) of diluted benzene in air was carried out in a nonthermal plasma (NTP) dielectric barrier discharge (DBD) reactor with the inner electrode made up of stainless steel fibres (SMF) modified with transition metal oxides in such a way to integrate the catalyst in discharge zone. Typical results indicate the better performance of MnOx and TiO2/MnOx modified systems, which may be attributed to the in situ decomposition of ozone on the surface of MnOx that may lead to the formation of atomic oxygen; whereas ultraviolet light induced photocatalytic oxidation may be taking place with TiO2 modified systems. Water vapour improved the selectivity to total oxidatio

Nanostructured RuO2 on MWCNTs: Efficient catalyst for transfer hydrogenation of carbonyl compounds and aerial oxidation of alcohols

Multiwall carbon nanotubes (MWCNTs)/ruthenium dioxide nanoparticles (RuO2NPs) composite was prepared by a straightforward ‘dry synthesis’ method. After being well characterized, the prepared composite was used as a nanocatalyst (RuO2/MWCNT) for the transfer hydrogenation of carbonyl compounds. The excellent adhesion of RuO2NPs on the anchoring sites of MWCNTs was confirmed by TEM and Raman analyses. The weight percentage (7.97 wt%) and the chemical state (+4) of Ru in RuO2/MWCNT was confirmed by EDS and XPS analyses, respectively. It was found that the RuO2/MWCNT has a higher specific surface area of 189.3 m2 g?1. Initially the reaction conditions were optimized and then the scope of the catalytic system was extended with a wide range of carbonyl compounds. The influence of the size of RuO2NPs on the transfer hydrogenation of carbonyl compounds was also studied. The RuO2/MWCNT is highly chemoselective, heterogeneous in nature, reusable and highly stable. Owing to the high stability of the used catalyst (u-RuO2/MWCNT), it was further calcinated at high temperature to obtain RuO2 nanorods (NRs) hybrid MWCNTs. Then the hybrid material was used as a catalyst (r-RuO2/MWCNT) for the aerial oxidation of alcohols and the result was found to be good.ArticleApplied Catalysis A. 484(22):84-96 (2014)journal articl

1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea

Two independent thio­urea derivatives comprise the asymmetric unit of the title compound, C14H20N2OS. The major difference between the mol­ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5 (2) and −19.9 (2)° for the two independent mol­ecules]. The thio­carbonyl and carbonyl groups lie to opposite sides of the mol­ecule as there are twists about the central N—S bond [torsion angles = 83.90 (15) and 81.77 (15)°]. Supra­molecular chains extending parallel to [101] with a stepped topology and mediated by N—H⋯O hydrogen bonding feature in the crystal structure. C—H⋯O and C—H⋯π inter­actions are also present

Dicyclo­hexyl­ammonium thio­cyanate: monoclinic polymorph

The title salt, C12H24N+·NCS−, represents a monoclinic polymorph of the previously reported ortho­rhom­bic form [Khawar Rauf et al. (2008 ▶). Acta Cryst. E64, o366]. Two independent formula units comprise the asymmetric unit with the major difference in their mol­ecular structures relating to the relative dispositions of the cyclo­hexyl rings [dihedral angles = 79.88 (6) and 67.72 (5)°]. Further, the independent anions form distinctive patterns of hydrogen-bonding inter­actions, i.e. 2 × N—H⋯N versus N—H⋯N and N—H⋯S. The resulting supra­molecular architecture is a supra­molecular chain along the c axis based on a square-wave topology

Bis(3-benzoyl-1,1-di-sec-butyl­thio­ureato-κ2 O,S)palladium(II)

The complex mol­ecule of the title complex, [Pd(C16H23N2OS)2], is completed by crystallographic twofold symmetry with the metal atom lying on the rotation axis. The PdII atom exists within a slightly distorted square-planar geometry defined by a cis-O2S2 donor set. The dihedral angle formed between the mean planes of the symmetry-related six-membered chelate rings is 12.88 (7)° and the bond lengths within the rings are indicative of significant electron delocalization. In the crystal, mol­ecules aggregate into dimers linked by four C—H⋯O inter­actions

3-Benzoyl-1,1-dibenzyl­thio­urea

Two independent thio­urea mol­ecules comprise the asymmetric unit of the title compound, C22H20N2OS. The central N–C(=S)N(H)C(=O) atoms in each mol­ecule are virtually superimposable and each is twisted [C—N—C—S torsion angles = 121.3 (3) and −62.3 (4)°]. The mol­ecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C—N—C—C torsion angles of −146.6 (3) and −132.9 (3)°]. The presence of N—H⋯S hydrogen bonding leads to the formation of supra­molecular chains along the a axis. These are consolidated in the crystal packing by C—H⋯O inter­actions. The crystal was found to be a combined non-merohedral and racemic twin (twin law 00/00/001), with the fractional contribution of the minor components being approximately 9 and 28%

Activation and Deactivation of a Robust Immobilized Cp*Ir-Transfer Hydrogenation Catalyst: A Multielement in Situ X-ray Absorption Spectroscopy Study

A highly robust immobilized [Cp*IrCl2]2 precatalyst on Wang resin for transfer hydrogenation, which can be recycled up to 30 times, was studied using a novel combination of X-ray absorption spectroscopy (XAS) at Ir L3-edge, Cl K-edge, and K K-edge. These culminate in in situ XAS experiments that link structural changes of the Ir complex with its catalytic activity and its deactivation. Mercury poisoning and “hot filtration” experiments ruled out leached Ir as the active catalyst. Spectroscopic evidence indicates the exchange of one chloride ligand with an alkoxide to generate the active precatalyst. The exchange of the second chloride ligand, however, leads to a potassium alkoxide–iridate species as the deactivated form of this immobilized catalyst. These findings could be widely applicable to the many homogeneous transfer hydrogenation catalysts with Cp*IrCl substructure