Between MOFs and mol­ecules: organolead(IV) compounds with chain structures

Three types of chain structures are realized in three reported organolead(IV) arsinates and phosphinates.

ɛ-RbCuCl₃, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity

A new polymorph of rubidium copper trichloride (RbCuCl₃) has been synthesized via chemical vapour transport (CVT). The crystal structure is based upon the octa­hedral framework of the 4H perovskite type. The structural complexity of the RbCuCl₃ polymorphs is discussed.

Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-di­hydroxy­estra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters

A biotransformed mol­ecule has been studied using various spectroscopic techniques. Its crystal structure has been refined using the classical independent atom model, as well as by using the transferred electron-density parameters from an electron-density database. The results of the various refinements have been compared. Structure–property relationships have been described based on the calculation of electron-density-derived properties.

Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate

Two polymorphic forms of DOTAM-mono-acid dihydrate were characterized. Potentiometry was used to compare the solution conformation to the crystal structure.

Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ɛ-caprolactone with initiators of different natures

The structures of a new packing polymorph of Mg(O-2,6-^tBu₂-4-MeC₆H₄)₂(THF)₂ and of a dimeric complex [Al(CH₃)(O-2,6-^tBu₂-4-MeC₆H₄)(μ₂-OCH₂COOC₂H₅)]₂ have been determined. The structure of [Zn₇(C₂H₅)₆(μ₃-OCH₂Ph)₈], possessing a bicubic Zn₇O₈ core, has been redetermined. The complexes have been tested as catalysts (Al and Zn) and as a precatalyst (Mg) for the ring-opening polymerization of ɛ-caprolactone.

Unanti­cipated formation of a novel octa­aza­cyclo­decane ring upon oxidation of a 1,1-bis-urazole

Tetra­hydro­tetra­zoles are a little-explored class of five-membered heterocycles with four contiguous singly-bonded N atoms. Their attempted synthesis via N—N bond formation between two suitably-substituted urazole rings led to the unanti­cipated formation of a novel octa­aza­cyclo­decane ring system.

Three new di­hydro-β-agaro­furan sesquiterpenes from the seeds of Maytenus boaria

The mol­ecular structures of three natural di­hydro-β-agaro­furan sesquiterpenes isolated from Maytenus boaria are reported and their hydrogen-bonded three-dimensional crystal structures discussed.

Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine–hypodiphosphate inter­action mode in hypodiphosphate nucleotides and adenine salts

An analogue of adenosine diphosphate (ADP), i.e. adenosine hypodiphosphate (AhDP), was synthesized and crystallized in the form of two sodium salts, Na₅(H₂AhDP)₃(HAhDP)·24H₂O and Na(H₄AhDP)(H₃AhDP)(H₂AhDP)₂·15H₂O, which were structurally characterized for a conformational comparison with ADP. Two adenine (Ade) hypodiphosphate salts, i.e. (AdeH)₂(H₂P₂O₆)·2H₂O and (AdeH)₂(H₂P₂O₆), were used as model systems to analyse nucleobase–hypodiphosphate inter­action modes.

A Cu^II complex with an carbamoyl­cyano­nitro­somethanide ligand formed in situ by the nucleophilic addition of water to di­cyano­nitro­somethan­ide: structure, spectral and magnetic properties

The mol­ecular [Cu(ccnm)Cl(biq)]·acn complex (acn is aceto­nitrile, biq is 2,2′-bi­quinoline and ccnm is carbamoyl­cyano­nitro­somethanide) was obtained as a result of nucleophilic addition of water to the di­cyano­nitro­somethanide ion in the presence of Cu^II and biq. The spectral and magnetic properties of the complex were investigated.

Isomorphous rare-earth tris­[bis­(2,6-diiso­propyl­phen­yl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydi­methyl­siloxane

The crystal structures of three isomorphous methanol solvates of rare-earth tris­[bis­(2,6-diiso­propyl­phen­yl) phosphato]lanthanide complexes, [Ln{O₂P(O-2,6-ⁱPr₂C₆H₃)₂}₃(CH₃OH)₅]·CH₃OH (Ln = La, Ce and Nd), exhibiting intra- and inter­molecular O—H⋯O hydrogen bonds, have been studied. The complexes demonstrate catalytic activity in 1,3-diene polymerization (for the Nd complex) and in the inhibited thermal oxidation of polydi­methyl­siloxane (for the Ce complex).

A new two-dimensional managnese(II) coordination polymer constructed by 2,2′-(1,2-phenyl­ene)bis­(1H-imidazole-4,5-di­carboxyl­ate)

A new two-dimensional coordination polymer based on 2,2′-(1,2-phenyl­ene)bis­(1H-imidazole-4,5-di­carb­oxy­lic acid) (H₆Phbidc) have been prepared and structurally characterized. The polymer exhibits a two-dimensional structure, in which the H₄Phbidc²⁻ anions coordinate to Mn^II ions in a hexa­dentate mode.

N,N,N-Tri­methyl-5-[(2,3,5,6-tetra­fluoro­phen­oxy)carbon­yl]pyridin-2-aminium tri­fluoro­methane­sulfonate a precursor for the synthesis of 2,3,5,6-tetra­fluoro­phenyl 6-[¹⁸F]-fluoro­nicotinate

N,N,N-Trimethyl-5-[(2,3,5,6-tetra­fluoro­phen­oxy)carbon­yl]pyridin-2-aminium tri­fluoro­methane­sulfonate (PyTFP-precursor) is required for the synthesis of 2,3,5,6-tetra­fluoro­phenyl 6-[¹⁸F]-fluoro­nicotinate ([¹⁸F]FPyTFP), a prosthetic group used to radiolabel peptides for positron emission tomography (PET). During the synthesis of PyTFP-precursor, displacement of a Cl atom with tri­methyl­amine gas and anion replacement with a triflate counter-ion occurs.

Chiral one-dimensional hydrogen-bonded architectures constructed from single-enanti­omer phospho­ric tri­amides

The architectures constructed from N—H⋯O hydrogen bonds are discussed for the first structures of an optical isomeric pair in the phospho­ric tri­amide family.

Undistorted linear Bi chains with hypervalent bonding in La₃TiBi₅ from single-crystal X-ray diffraction

The crystal structure of the recently reported La₃TiBi₅ phase is refined for the first time from single-crystal X-ray diffraction data. Structural analysis and first-principles calculations show the presence of undistorted linear Bi chains with hypervalent bonding.

Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis

The ternary compounds Nb_0.92(1)NiAs, NbCoAs, and NbNiGe were synthesized serendipitously by reactions employing mixtures of alkali metal, Co, Ni, As, and Ge, which were carried out at high temperatures in sealed Nb containers.

Novel platinum-based anti­cancer drug: a complete vibrational study

Vibrational analysis of a platinum–spermine complex (Pt₂Spm) was carried out using optical (Raman and FT–IR) and neutron-based (INS) spectroscopies coupled to quantum mechanical methods. Pt₂Spm is a potential new anti­cancer drug, with promising results against low-prognosis metastatic human breast cancer.

Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic a­methane diterpene from Isodon amethystoides bearing a six/five/seven-membered carbon-ring system

A new diterpene with a rare six/five/seven-membered carbon-ring system has been isolated from the plant Isodon amethystoides (Lamiaceae) and its structure and pharmacological activities determined. A possible biosynthetic pathway has been proposed for this compound.

Canted anti­ferromagnet superimposed on a buckled kagomé network in RbMn₄(PO₄)₃

The crystal structure of RbMn₄(PO₄)₃, which was synthesized hydro­thermally, has been refined in the space group Pnnm (D_2h¹²). At low temperatures, the compound orders into a canted anti­ferromagnetic state with finite spontaneous magnetization.

C.V. Raman's Laboratory and Discovery of the Raman Effect

The Chemistry of Soils