Crystal structure of cis-copper(II) complex with N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide ligand

Copper(II) complex, cis-[Cu(L-κ2S,O)2] of N-(di-n-propylcarbamothioyl)cyclohexane carboxamide ligands (HL) has been synthesized and structurally characterized by various spectroscopic techniques and single crystal X-ray diffraction crystallography. The cis-[Cu(L-κ2S,O)2], C28H50CuN4O2S2: Monoclinic, space group P21/n (no. 14), a = 10.025(2) Å, b = 21.724(4) Å, c = 14.848(3) Å, β = 100.60(3)°, Z = 4, Dcalc = 1.259 g/cm3, 22069 reflections measured (5.88° ≤ 2Θ ≤ 50.2°), 5639 unique (Rint = 0.0630, Rsigma = 0.0678) which were used in all calculations. The final R1 was 0.0488 (≥2σ(I)) and wR2 was 0.1277 (all data). Single crystal analysis revealed that a square-planar coordination geometry is formed around the copper atom by two sulphur and two oxygen atoms of the related ligand, which are in a cis configuration

1-(2-Phenyl­benz­yl)-3-(2,4,6-trimethyl­benz­yl)imidazolidinium bromide

In the title salt, C26H29N2 +·Br−, which may serve as a precursor for N-heterocyclic carbenes, the imidazolidine ring adopts a twist conformation with a pseudo-twofold axis passing through the N—C—N carbon and the opposite C—C bond. The N—C—N bond angle [113.0 (4)°] and C—N bond lengths [1.313 (6) and 1.305 (6) Å] confirm the existence of strong resonance in this part of the mol­ecule. In the crystal, a C—H⋯Br inter­action is present. The dihedral angle between the biphenyl rings is 64.3 (2)° and the phenyl rings make angles of 76.6 (3) and 18.5 (3)° with the plane of the imidazolidine ring

1,3,7-Trideacetylkhivorin

The title D-seco limonoid, named 1,3,7-trideacetylkhivorin (systematic name: 14,15:21,23-diepoxy-1,3,7-trihydroxy-4,4,8-trimethyl-D-homo-24-nor-17-oxochola-20,22-diene-16-one), C26H36O7, was isolated from the stem bark of African mahogany Khaya senegalensis (Meliaceae). The four fused six-membered rings adopt chair, chair, boat and half-chair conformations. The five-membered furan ring is disordered by a 180° rotation about the bond linking it to the pyran ring. The crystal structure is stabilized by strong classical O-HO hydrogen-bond interactions to form a network

A two-dimensional organic–inorganic hybrid compound, poly[(ethylenediamine)tri-μ-oxido-oxidocopper(II)molybdenum(VI)]

A new organic–inorganic two-dimensional hybrid compound, [CuMoO4(C2H8N2)], has been hydro­thermally synthesized at 443 K. The unit cell contains layers composed of CuN2O4 octa­hedra and MoO4 tetra­hedra. Corner-sharing MoO4 and CuN2O4 polyhedra form CuMoO4 bimetallic sites that are joined together through O atoms, forming an edge-sharing Cu2Mo2O4 chain along the c axis. The one-dimensional chains are further linked through bridging O atoms that join the Cu and Mo atoms into respective chains along the b axis, thus establishing layers in the bc plane. The ethyl­enediamine ligand is coordinated to the Cu atom through its two N atoms and is oriented perpendicularly to the two-dimensional –Cu—O—Mo– layers. The average distance between adjacent layers, as calculated by consideration of the closest and furthest distances between two layers, is 8.7 Å. The oxidation states of the Mo and Cu atoms of VI and II, respectively, were confirmed by bond-valence sum calculations

1,3-Bis[4-(dimethyl­amino)benz­yl]-4,5,6,7-tetra­hydro-1H-1,3-diazepan-2-ium chloride

The title N-heterocyclic carbene derivative, C23H33N4 +·Cl−, has been synthesized and characterized by elemental analysis, 1H and 13C NMR, IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by three C—H⋯Cl inter­actions. The seven-membered 1,3-diazepane ring has a form inter­mediate between twist-chair and twist-boat

Bromido[1-(η6-4-tert-butyl­benz­yl)-3-(2,4,6-trimethyl­benz­yl)benzimidazol-2-yl­idene]chloridoruthenium(II)

A new ruthenium complex, [RuBrCl(C28H32N2)], has been synthesized and characterized by elemental analysis, 1H NMR, 13C NMR, IR-spectroscopy and a single-crystal X-ray diffraction study. The Ru atom in this complex is best described as having a considerably distorted octa­hedral coordination environment with the arene occupying three coordination sites. Two further coordination sites are occupied by chloride and bromide ligands, while the sixth site is occupied by the carbene. The carbene portion of the ligand is a benzimidazole ring. This ring is connected to the C6H4C(CH3)3 arene by a CH2 bridge. This leads to a system with very little apparent strain. The two halogen atoms are disordered between Br and Cl. Two partial Cl atoms share the same sites as two partial Br atoms so that the title compound effectively has one Cl and one Br atom. C—H⋯X (X = Cl, Br) hydrogen bonds help to stabilize the crystal structure

Tetra-μ-aqua-octaaqua­bis(μ-4-chloro­pyridine-2,6-dicarboxyl­ato)bis­(4-chloro­pyridine-2,6-dicarboxyl­ato)tri­cobalt(II)disodium(I) bis­[triaqua­bis(4-chloro­pyridine-2,6-dicarboxyl­ato)cobalt(II)] hexa­hydrate

The title compound, [Co3Na2(C7H2ClNO4)4(H2O)12][Co(C7H2ClNO4)(H2O)3]2·6H2O, consists of a centrosymmetric dimer of [CoII(dipicCl)2]2− complex dianions [dipicCl is 4-chloro­pyridine-2,6-dicarboxyl­ate] bridged by an [Na2CoII(H2O)12]4+ tetra­cationic cluster, two independent [Co(dipicCl)(H2O)3] complexes, and six water mol­ecules of crystallization. The metals are all six-coordinate with distorted octahedral geometries. The [CoII(dipicCl)(H2O)3] complexes are neutral, with one tridentate ligand and three water molecules. The [CoII(dipicCl)2]2− complexes each have two tridentate ligands. The [Na2CoII(H2O)12]4+ cluster has a central CoII ion which is coordinated to six water molecules and lies on a crystallographic inversion center. Four of the water molecules bridge to two sodium ions, each of which have three other water molecules coordinated along with an O atom from the [CoII(dipicCl)2]2− complex. In the crystal structure, the various units are linked by O—H⋯O hydrogen bonds, forming a three-dimensional network. Two water molecules are disordered equally over two positions

1-(1H-Benzimidazol-1-ylmeth­yl)-3-[2-(di­isopropyl­amino)eth­yl]-1H-benzimid­azolium bromide 0.25-hydrate

The title N-heterocyclic carbene derivative, C23H30N5 +·Br−·0.25H2O, was synthesized using microwave heating and was characterized by 1H and 13C NMR spectroscopy and a single-crystal X-ray diffraction study. The structure of the title compound are stabilized by a network of intra- and inter­molecular C—H⋯Br hydrogen-bonding inter­actions. The crystal structure is further stabilized by π–π stacking inter­actions between benzene and imidazole fragment rings of parallel benzo[d]imidazole rings, with a separation of 3.486 (3) Å between the centroids of the benzene and imidazole rings. There is also an inter­molecular C—H⋯π inter­action in the crystal structure. The C—N bond lengths for the central benzimidazole ring are shorter than the average single C—N bond, thus showing varying degrees of double-bond character and indicating partial electron delocalization within the C—N—C—N—C fragment. The isopropyl group is disordered over two sites with occupancies of 0.792 (10) and 0.208 (10)

1,3-Bis(2-thienylmeth­yl)-4,5-dihydro­imidazolium trichlorido(η6-p-cymene)ruthenate(II)

The asymmetric unit of the title compound, (C13H15N2S2)[RuCl3(C10H14)], contains a 1,3-(2-thienylmeth­yl)-4,5-dihydro­imidazolium cation and a trichlorido(η 6-p-cymene)ruthenate(II) anion. The thio­phene rings of the cation are disordered by an 180° rotation about the thio­phene–CH2 bonds with occupancies of 0.847 (5)/0.153 (5) and 0.700 (5)/0.300 (5), respectively. The Ru atom exhibits a distorted octa­hedral coordination with the benzene ring of the p-cymene ligand formally occupying three sites and three Cl atoms occupying the other three sites. The short C—N bond lengths in the imidazoline ring indicate partial electron delocalization within the N—C—N fragment. Cation and anions are connected through five inter­molecular C—H⋯Cl hydrogen bonds and one C—H⋯π hydrogen bond, forming a three-dimensional hydrogen-bonded network

1,3-Bis(thio­phen-2-ylmeth­yl)-3,4,5,6-tetra­hydro­pyrimidinium trichlorido(η6-p-cymene)ruthenate(II)

The asymmetric unit of the title compound, (C14H17N2S2)[Ru(C10H14)Cl3], contains a 1,3-bis­(thio­phen-2-ylmeth­yl)-3,4,5,6-tetra­hydro­pyrimidinium cation and a trichlorido(η6-p-cymene)ruthenate(II) anion. The Ru atom exhibits a distorted octa­hedral coordination with the benzene ring of the p-cymene ligand formally occupying three sites and three chloride atoms occupying the other three sites. The N—C bond lengths of the N—C—N unit of the pyrimidinium cation are shorter than the average single C—N bond length of 1.48 Å, thus showing double-bond character, indicating a partial electron delocalization within the N—C—N fragment. The pyrimidine ring has an envelope conformation. Four inter­molecular C—H⋯Cl hydrogen bonds generate a three-dimensional hydrogen-bonded framework