The title mol­ecular salt, C9H12N3O2S+·HSO4−, was obtained through the protonation of the azomethine N atom in a sulfuric acid medium. The crystal com­prises two entities, a thio­semicarbazide cation and a hydrogen sulfate anion. The cation is essentially planar and is further stabilized by a strong intra­molecular O—H⋯N hydrogen bond. In the crystal, a three-dimensional network is established through O—H⋯O and N—H⋯O hydrogen bonds. A weak intermolecular C—H⋯O hydrogen bond is also observed. The hydrogen sulfate anion exhibits disorder over two sets of sites and was modelled with refined occupancies of 0.501 (6) and 0.499 (6).

The title compound, [IrZnI2(C10H15)(C3H9P)2]·0.5C6H6 or [Cp*(PMe3)2Ir]-[ZnI2] (Cp* = cyclo-C5Me5) was obtained and characterized as its benzene solvate [Cp*(PMe3)2Ir]-[ZnI2]·0.5C6H6. The bimetallic complex in this structure contains the Lewis-acidic fragment ZnI2 bonded to the Lewis-basic fragment Cp*(PMe3)2Ir, with an Ir—Zn bond distance of 2.452 (1) Å. The compound was obtained by reacting [Cp*(PMe3)IrI2] with 2-Ad2Zn (2-Ad = 2-adamant­yl), resulting in the reduction of the IrIII complex and formation of the IrI–ZnII adduct. The crystal studied was a twin by non-merohedry with a refined BASF parameter of 0.223 (1).

The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-di­carboxyl­ate and DMF = di­methyl­formamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal–organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides inter­actions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF mol­ecule, which shows positional disorder. Parallel planes are connected mainly through weak C—H⋯O, H⋯H and H⋯C inter­actions between DMF mol­ecules, as shown by Hirshfeld surface analysis.

The title compound, C14H12BrNO2, was synthesized by the condensation reaction of 2,3-di­hydroxy­benzaldehyde and 2-bromo-3-methyl­aniline. It crystallizes in the centrosymmetric triclinic space group Poverline{1}. The configuration about the C=N bond is E. The dihedral angle between the planes of the 5-(2-bromo-3-methyl­phenyl ring and the catechol ring is 2.80 (17)°. In the crystal, O—H⋯O hydrogen-bond inter­actions consolidate the crystal packing.

The title triclinic polymorph (Form I) of 1,4-bis­([2,2':6',2''-terpyridin]-4'-yl)benzene, C36H24N6, was formed in the presence of the Lewis acid yttrium trichloride in an attempt to obtain a coordination compound. The crystal structure of the ortho­rhom­bic polymorph (Form II), has been described previously [Fernandes et al. (2010). Acta Cryst. E66, o3241–o3242]. The asymmetric unit of Form I consists of half a mol­ecule, the whole mol­ecule being generated by inversion symmetry with the central benzene ring being located about a crystallographic centre of symmetry. The side pyridine rings of the 2,2':6',2''-terpyridine (terpy) unit are rotated slightly with respect to the central pyridine ring, with dihedral angles of 8.91 (8) and 10.41 (8)°. Opposite central pyridine rings are coplanar by symmetry, and the angle between them and the central benzene ring is 49.98 (8)°. The N atoms of the pyridine rings inside the terpy entities, N⋯N⋯N, lie in trans–trans positions. In the crystal, mol­ecules are linked by C—H⋯π and offset π–π inter­actions [inter­centroid distances are 3.6421 (16) and 3.7813 (16) Å], forming a three-dimensional structure.

The title compound, C15H17NO2S, was synthesized via a substitution reaction between 4-methyl­benzyl­amine and p-toluene­sulfonyl chloride. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules, forming ribbons running along the b-axis direction. One of the aromatic rings hosts two inter­molecular C—H⋯π inter­actions that link these hydrogen-bonded ribbons into a three-dimensional network.

A new pseudopolymorph of dodeca­chloro­penta­silane, namely a benzene monosolvate, Si5Cl12·C6H6, is described. There are two half mol­ecules of each kind in the asymmetric unit. Both Si5Cl12 mol­ecules are completed by crystallographic twofold symmetry. One of the benzene mol­ecules is located on a twofold rotation axis with two C—H groups located on this rotation axis. The second benzene mol­ecule has all atoms on a general position: it is disordered over two equally occupied orientations. No directional inter­actions beyond normal van der Waals contacts occur in the crystal.

A coordination polymer formulated as [Sr(H2BTEC)(H2O)]n (H4BTEC = benzene-1,2,4,5-tetra­carb­oxy­lic acid, C10H6O8), was synthesized hydro­thermally and characterized by single-crystal and powder X-ray diffraction, scanning electron microscopy and thermal analysis. Its crystal structure is made up of a zigzag inorganic chain formed by edge-sharing of [SrO8] polyhedra running along [001]. Adjacent chains are connected to each other via the carboxyl­ate groups of the ligand, resulting in a double-layered network extending parallel to (100). O—H⋯O hydrogen bonds of medium-to-weak strength between the layers consolidate the three-dimensional structure. One of the carb­oxy­lic OH functions was found to be disordered over two sets of sites with half-occupancy.

The mol­ecular structure of the title compound, C11H15NO2S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S—N bond length of 1.625 (2) Å, and an S—C bond length of 1.770 (2) Å. When viewing the mol­ecule down the S—N bond, both N—C bonds of the pyrrolidine ring are oriented gauche to the S—C bond with torsion angles of −65.6 (2)° and 76.2 (2)°. The crystal structure features both intra- and inter­molecular C—H⋯O hydrogen bonds, as well as inter­molecular C—H⋯π and π–π inter­actions, leading to the formation of sheets parallel to the ac plane.

In the title compound, C13H15N3O5S, the two rings face each other in a `V' form at the S atom, with one N—H⋯O=S and one C—H⋯O=S contact from the pyrazolyl substituents to the sulfonyl group. Two classical hydrogen bonds from the amine group, one of the form N—H⋯O=S and one N—H⋯O=Coxo, link the mol­ecules to form layers parallel to the bc plane.

The X-ray crystal structure of the title phthalazin-1-one derivative, C17H16N2O3S {systematic name: 2-[(2,4,6-tri­methyl­benzene)­sulfon­yl]-1,2-di­hydro­phthalazin-1-one}, features a tetra­hedral sulfoxide-S atom, connected to phthalazin-1-one and mesityl residues. The dihedral angle [83.26 (4)°] between the organic substituents is consistent with the mol­ecule having the shape of the letter V. In the crystal, phthalazinone-C6-C—H⋯O(sulfoxide) and π(phthalazinone-N2C4)–π(phthalazinone-C6) stacking [inter-centroid distance = 3.5474 (9) Å] contacts lead to a linear supra­molecular tape along the a-axis direction; tapes assemble without directional inter­actions between them. The analysis of the calculated Hirshfeld surfaces confirm the importance of the C—H⋯O and π-stacking inter­actions but, also H⋯H and C—H⋯C contacts. The calculation of the inter­action energies indicate the importance of dispersion terms with the greatest energies calculated for the C—H⋯O and π-stacking inter­actions.

The title compound, [Mn(C3H7NO)4(H2O)2][Cu5(C7H4NO3)4]·C3H7NO or cis-[Mn(H2O)2(DMF)4]{Cu[12-MCCu(II)N(shi)-4]}·DMF, where MC is metallacrown, shi3− is salicyl­hydroximate, and DMF is N,N-di­methyl­formamide, crystallizes in the monoclinic space group P21/n. Two crystallographically independent metallacrown anions are present in the structure, and both anions exhibit minor main mol­ecule disorder by an approximate (non-crystallographic) 180° rotation with occupancy ratios of 0.9010 (9) to 0.0990 (9) for one anion and 0.9497 (8) to 0.0503 (8) for the other. Each penta­copper(II) metallacrown contains four CuII ions in the MC ring and a CuII ion captured in the central cavity. Each CuII ion is four-coordinate with a square-planar geometry. The anionic {Cu[12-MCCu(II)N(shi)-4]}2− is charged-balanced by the presence of a cis-[Mn(H2O)2(DMF)4]2+ cation located in the lattice. In addition, the octa­hedral MnII counter-cation is hydrogen bonded to both MC anions via the coordinated water mol­ecules of the MnII ion. The water mol­ecules form hydrogen bonds with the phenolate and carbonyl oxygen atoms of the shi3− ligands of the MCs.

In the first reported crystal structure involving the potential ligand N,N',N''-tris­(2-pyridin­yl)-1,3,5-benzene­tricarboxamide, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules via their amide groups into slanted ladder-like chains. Only two of the three amide groups in the mol­ecule are involved in hydrogen bonding, which influences the degree of out-of-plane twisting at each amide group.

In the first reported crystal structure involving the potential ligand N,N',N''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamide, C24H18N6O3, intermolecular N—H...O hydrogen bonds link the molecules via their amide groups into slanted ladder-like chains, in which the uprights of the ladder are formed by the hydrogen-bonding interactions and the benzene ring cores of the molecules act as the rungs of the ladder. Only two of the three amide groups in the molecule are involved in hydrogen bonding and this influences the degree of out-of-plane twisting at each amide group, with the twist being more significant for those amide groups participating in hydrogen bonds.

A new polymorph (form II) is reported for the 1:1 dimethyl sulfoxide solvate of 2,3,5,6-tetra­fluoro-1,4-di­iodo­benzene (TFDIB·DMSO or C6F4I2·C2H6SO). The structure is similar to that of a previously reported polymorph (form I) [Britton (2003). Acta Cryst. E59, o1332–o1333], containing layers of TFDIB mol­ecules with DMSO mol­ecules between, accepting I⋯O halogen bonds from two TFDIB mol­ecules. Re-examination of form I over the temperature range 300–120 K shows that it undergoes a phase transformation around 220 K, where the DMSO mol­ecules undergo re-orientation and become ordered. The unit cell expands by ca 0.5 Å along the c axis and contracts by ca 1.0 Å along the a axis, and the space-group symmetry is reduced from Pnma to P212121. Refinement of form I against data collected at 220 K captures the (average) structure of the crystal prior to the phase transformation, with the DMSO mol­ecules showing four distinct disorder com­ponents, corresponding to an overlay of the 297 and 120 K structures. Assessment of the inter­molecular inter­action energies using the PIXEL method indicates that the various orientations of the DMSO mol­ecules have very similar total inter­action energies with the molecules of the TFDIB framework. The phase transformation is driven by inter­actions between DMSO mol­ecules, whereby re-orientation at lower temperature yields significantly closer and more stabilizing inter­actions between neighbouring DMSO mol­ecules, which lock in an ordered arrangement along the shortened a axis.

Study links benzene exposure to sperm abnormality.

The invention relates to a method for producing nitrobenzene, in which crude nitrobenzene is first produced by nitrating benzene and said crude nitrobenzene is then washed in succession in at least one acid wash, in at least one alkaline wash and in at least one neutral wash, at least one additional wash with an aqueous solution of a potassium salt being interposed between the last alkaline wash and the first neutral wash.

A method for controlling 2-isomer content in linear alkylbenzene obtained by alkylating benzene with olefins and catalyst used in the method.

This invention relates to fluoroalkyl and chlorofluoroalkyl benzenes with relatively high boiling points, having zero ozone depletion potential and low global warming potential. This invention also relates to the preparation of such fluoroalkyl and chlorofluoroalkyl benzenes. These materials can be used as reaction and heat transfer media, cleaning agents and as intermediates for biologically active materials.

1-Fluoro-2-substituted-3-chlorobenzenes are selectively deprotonated and functionalized in the position adjacent to the fluoro substituent.

Another very good reason to get fossil fuel powered cars out of our cities.

Imports of Crude Benzene in Japan increased to 82.65 JPY Million in March from 82.10 JPY Million in January of 2020. Imports of Crude Benzene in Japan averaged 301.92 JPY Million from 1988 until 2020, reaching an all time high of 1530.70 JPY Million in August of 2006 and a record low of 0 JPY Million in December of 1995. This page includes a chart with historical data for Japan Imports of Crude Benzene.

Two other facilities surpassed limit but then lowered their emissions as required

Nickel catalyst provides a route to the cleaning product chemicals with high yields and selectivity

The latest ‘inorganic benzene' has pronounced aromaticity

Nickel catalyst provides a route to the cleaning product chemicals with high yields and selectivity