Crystal structure of polymeric bis­(3-amino-1H-pyrazole)­cadmium diiodide

The title compound, {[Cd(3-apz₂)]I₂}_n consists of a Cd²⁺ cation, iodine anions balancing the charge and bridging 3-amino­pyrazole (3-apz) mol­ecules. The Cd²⁺ cations are coordinated by two iodine anions and two apz ligands, generating trans-CdN₄I₂ octa­hedra, and are linked into chains by pairs of the bridging ligand. In the crystal structure, the apz ligands and iodide anions of neighboring chains are linked through inter­chain hydrogen bonding into a two-dimensional supra­molecular network.

Synthesis, structural studies and Hirshfeld surface analysis of 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexa­kis­(nitrato-κ²O,O′)thorate(IV)

The complex 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)meth­yl]pyridin-1-ium hexa­kis­(nitrato-O,O′)thorate was synthesized from layered solutions of Th(NO₃)₄·5H₂O and 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)meth­yl]pyridine (L).

Rerefinement of the crystal structure of BiF₅

Redetermination of the crystal structure of BiF₅ was undertaken to a much higher precision and quantum chemical calculations for an assignment of the Raman and IR bands.

Crystal structures of four thio­glycosides involving carbamimido­thio­ate groups

The structures of the four thio­glycosides, all Z-configured across the C=N(CN) moiety, differ in many important torsion angles. The C—N bond lengths at the central carbon atom of the carbamimido­thio­ate group are almost equal. Three of the four structures form layers by hydrogen bonding.

Crystal structure of the 1:1 co-crystal 4-(di­methylamino)­pyridin-1-ium 8-hy­droxy­quinoline-5-sulfonate–N,N-di­methyl­pyridin-4-amine

The asymmetric unit of the title compound consists of two independent ion pairs of 4-(di­methyl­amino)­pyridin-1-ium quinolin-8-ol-5-sulfonate (HDMAP⁺·HqSA⁻) and neutral N,N-di­methyl­pyridin-4-amine (DMAP), forming a 1:1:1 cation:anion:neutral mol­ecule co-crystal. The compound has a layered structure, including cation layers of HDMAP⁺ with DMAP and anion layers of HqSA⁻ in the crystal. The cation and anion layers are linked by inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions.

Crystal structure determination and Hirshfeld surface analysis of N-acetyl-N-3-meth­oxy­phenyl and N-(2,5-di­meth­oxy­phen­yl)-N-phenyl­sulfonyl derivatives of N-[1-(phenyl­sulfon­yl)-1H-indol-2-yl]methanamine

The crystal structures of two 1H-indole derivatives are described and the inter­molecular contacts in the crystals are assessed and analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots.

Crystal structure of catena-poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophen­yl)-1H-1,2,4-triazol-3-yl]acetato-κ²O:O′]

In [UO₂L(CH₃OH)]_n, the acetate group of the 1,2,4-triazol-based ligand bridges two uranyl cations, forming a neutral zigzag chain. A solid-state LMCT transition at 463 nm is responsible for the light-red colour of the compound.

Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluoro­lactonization products from the reaction of oleanolic acid with Selectfluor^TM

X-ray analysis and structure determination of fluoro­lactonization products from the reaction of oleanolic acid with Selectfluor^TM are reported.

Crystal and mol­ecular structure of 2-methyl-1,4-phenyl­ene bis­(3,5-di­bromo­benzoate)

Mol­ecules of the aryl diester, 2-methyl-1,4-phenyl­ene bis­(3,5-di­bromo­benzoate), crystallized out from the melt (m.p. = 502 K/DSC). The crystal structure consists of a C—H⋯Br hydrogen-bonded network and weaker, offset π–π inter­actions.

Synthesis, mol­ecular and crystal structures of 4-amino-3,5-di­fluoro­benzo­nitrile, ethyl 4-amino-3,5-di­fluoro­benzoate, and di­ethyl 4,4′-(diazene-1,2-di­yl)bis­(3,5-di­fluoro­benzoate)

Two inter­mediates, 4-amino-3,5-di­fluoro­benzo­nitrile, C₇H₄F₂N₂ (I), and ethyl 4-amino-3,5-di­fluoro­benzoate, C₉H₉F₂NO₂ (II), along with a visible-light-responsive azo­benzene derivative, diethyl 4,4′-(diazene-1,2-di­yl)bis­(3,5-di­fluoro­benzoate), C₁₈H₁₄F₄N₂O₄ (III), obtained by four-step synthetic procedure, were studied using single-crystal X-ray diffraction. In the crystals of I and II, the mol­ecules are connected by N—H⋯N, N—H⋯F and N—H⋯O hydrogen bonds, C—H⋯F short contacts, and π-stacking inter­actions. In the crystal of III, only stacking inter­actions between the mol­ecules are found.

Crystal structure of 4-bromo-5,7-dimeth­oxy-2,3-di­hydro-1H-inden-1-one

In the title mol­ecule, C₁₁H₁₁BrO₃, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the a-axis directions, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds.

Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae)

This work presents the crystal structure of a natural diterpenoid, Staudtienic acid, isolated from the stem bark of Staudtia kamerunensis Warb (Myristicaceae). This work confirmed the results previously obtained from NOE spectroscopy.

Crystal structure of bis­[(η⁵-tert-butyl­cyclo­pentadien­yl)tri­carbonyl­molybdenum(I)](Mo—Mo)

The Mo—Mo bond in the dinuclear mol­ecular title compound is 3.2323 (3) Å, in good agreement with related dinuclear molybdenum(I) compounds with cyclo­penta­dienyl (Cp) ligands.

Synthesis, mol­ecular and crystal structure of [(NH₂)₂CSSC(NH₂)₂]₂[RuBr₆]Br₂·3H₂O

The [RuBr₆]²⁻ anionic complex has an octa­hedral structure. The Ru—Br distances fall in the range 2.4779 (4)–2.4890 (4) Å. The S—S and C—S distances are 2.0282 (12) and 1.783 (2) Å, respectively. The H₂O mol­ecules, Br⁻ ions, and NH₂ groups of the cation are linked by hydrogen bonds.

Pyrazine-bridged polymetallic copper–iridium clusters

The title mol­ecule is centrosymmetric, with a pyrazine ligand bridging two {Cu₁₀Ir₃} cluster units that are arranged in an unusual shape containing 13 vertices, 22 faces, and 32 sides.

Crystal structures of seven gold(III) complexes of the form LAuX₃ (L = substituted pyridine, X = Cl or Br)

The structures of seven complexes of general formula LAuX₃ (L = methyl­pyridines or di­methyl­pyridines, X = Cl or Br) are presented. In the crystal packing, a frequent feature is the offset-stacked and approximately rectangular dimeric moiety (Au—X)₂, linked by Au⋯X contacts.

Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromo­phen­yl)-1H-1,2,3-triazol-4-yl]methyl 2-(4-nitro­phen­oxy)acetate

The title mol­ecule has a twisted conformation and is connected with its neighbours by C—H⋯O and C—H⋯N hydrogen bonds, π–π and Br–π inter­actions.