(1R,3S)-3-(1H-Benzo[d]imidazol-2-yl)-1,2,2-tri­methyl­cyclo­pentane-1-carb­oxy­lic acid as a new anti-diabetic active pharmaceutical ingredient

The chiral title compound, which can be used for producing active pharmaceutical ingredients for treatment of type 2 pancreatic diabetes and other pathologies dependent on insulin resistance, was prepared from (1R,3S)-camphoric acid and o-phenyl­enedi­amine.

The crystal structure of KScP₂O₇

The crystal structure of the pyrophosphate KScP₂O₇ crystallizes in the KAlP₂O₇ structure type and is compared with other structures of the KM^IIIP₂O₇ series (M = Al–Y).

Structural (at 100 K) and DFT studies of 2′-nitro­flavone

The title mol­ecule, C₁₅H₉NO₄, is non-planar, with the unusually large dihedral angle between mean planes of phenyl ring and chromone moiety being 50.73 (5)°.

Crystal structures of tolfenamic acid polymorphic forms I and II with precise hydrogen-atom positions for nuclear magnetic resonance studies

The structures of tolfenamic acid polymorph forms I and II have been redetermined with improved precision of the hydrogen-atom positions by Hirshfeld atom refinement to provide improved data for solid- and solution-state nuclear magnetic resonance studies.

Crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the di-enol tautomeric form of the compound 3,3′-[(2-sulf­anyl­idene-1,3-di­thiole-4,5-di­yl)bis­(sulfane­diyl)]bis­(pentane-2,4-dione)

A new di­thiol­ene derivative has been synthesized from [TBA]₂[Zn(dmit)₂] and 3-chloro-2,4-penta­nedione. Crystals were obtained by slow evaporation of an aceto­nitrile solution of the title compound, which crystallizes in the triclinic space group P. The structure of the S—C heterocycle includes two penta­dione moieties that are outside of the plane of the mol­ecule. Intra- and inter­molecular hydrogen bonds are observed, as well as C—H⋯S, S⋯S and O⋯H short contacts from other inter­molecular inter­actions.

Synthesis and crystal structures of manganese(I) carbonyl complexes bearing ester-substituted α-di­imine ligands

The structural comparison of two Mn^I tricarbonyl complexes bearing ester-substituted bi­pyridine or bi­quinoline ligands is reported.

Crystal structures of [(N,N-di­methyl­amino)­meth­yl]ferrocene and (R_p,R_p)-bis­{2-[(di­methyl­amino)­meth­yl]ferrocen­yl}di­methyl­silane

The cyclo­penta­dienyl rings are eclipsed in both of the title compounds and their packing is dominated by H⋯H (van der Waals) contacts, as determined by Hirshfeld surface analyses.

[2-Chloro-3-nitro-5-(tri­fluoro­meth­yl)phen­yl](piperidin-1-yl)methanone: structural characterization of a side product in benzo­thia­zinone synthesis

The crystal and mol­ecular structure of [2-chloro-3-nitro-5-(tri­fluoro­meth­yl)phen­yl](piperidin-1-yl)methanone, a side product in the synthesis of an 8-nitro-1,3-benzo­thia­zin-4-one, which belongs to a class of new anti-tuberculosis drug candidates, is reported.

Synthesis and crystallographic characterization of di­phenyl­amide rare-earth metal complexes Ln(NPh₂)₃(THF)₂ and [(Ph₂N)₂Ln(μ-NPh₂)]₂

Crystallographic characterization of complexes of the smaller rare-earth elements Y, Dy, and Er with the NPh₂ ligand reveals monometallic, bimetallic, and tetra­metallic structures.

Synthesis by deamination reaction and crystal structure at 120 K of (16Z,19E)-18-oxo-N-(pyridin-2-yl)-6,7,9,10-tetra­hydro-18H-dibenzo[h,o][1,4,7]trioxa­cyclo­hexa­decine-17-carboxamide

The new title aza-crown ether has been synthesized by a deamination reaction and its crystal structure has been determined at 120 K. The title mol­ecule contains a 16-membered macrocycle with the conformation of the C—O—C—C—O—C—C—O—C polyether chain being t–g^(-)–t–t–g⁽⁺⁾–t (t = trans, 180°; g = gauche, ±60°).

Crystal structures of three anionic lanthanide–aluminium [3.3.1] metallacryptate complexes

The three [3.3.1] metallacryptate complexes [Hpy]₂[GdAl₆(H₂shi)₂(shi)₇(py)_1.855(H₂O)₂]·7.396py·H₂O, 1, [Hpy]₂[DyAl₆(H₂shi)₂(shi)₇(py)_1.891(H₂O)₂]·7.429py·H₂O, 2, and [Hpy]₂[YbAl₆(H₂shi)₂(shi)₇(py)_1.818(H₂O)₂]·7.386py·H₂O, 3, where Hpy⁺ is pyridinium, shi³⁻ is salicyl­hydroximate, and py is pyridine, consist of an aluminium-based metallacryptand that captures an Ln^III ion in the central cavity. The metallacryptand portions are comprised of an Al—N—O repeat unit; thus, they can be considered three-dimensional metallacrowns. The encapsulated Ln^III ions are nine-coordinate with a spherical capped-square-anti­prism geometry, while the six Al^III ions are all octa­hedral. Four of the Al^III ions are chiral centers with 2 Δ and 2 Λ stereoconfigurations. The remaining two Al^III ions have trans chelate rings from two different shi³⁻ ligands.

4,15-Di­methyl-7,12-diazo­niatri­cyclo­[10.4.0.0^2,7]hexa­deca-1(12),2,4,6,13,15-hexa­ene dibromide monohydrate

The crystal structure of the viologen 4,4′-dimethyl-2,2′-dipyridyl-N,N′-tetra­methyl­ene dibromide monohydrate is presented, along with details of an improved synthesis and NMR spectroscopic analysis.

Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-di­methyl-5a,6,11a,12-tetra­hydro­benzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine

In the crystal, mol­ecules are linked by pairs of C—H⋯O and N—H⋯C contacts into layers parallel to (100). H⋯H contacts make the largest contribution to the Hirshfeld surface (58.9%).

Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)

In the crystal structure of the title compound, Co(NCS)₂(N,N′-di­methyl­thio­urea)₂, discrete tetra­hedral complexes are found in which the thio­cyanate anions are N-terminally coordinated, while the coligands are S-terminally coordinated and are connected via weak hydrogen bonds into a three-dimensional structure.

TlPO₃ and its comparison with isotypic RbPO₃ and CsPO₃

TlPO₃ is a catena-polyphosphate that represents the high-temperature polymorph of thallium(I) phosphate with a Tl:P ratio of 1:1.

Formation of a nona­nuclear copper(II) cluster with 3,5-di­methyl­pyrazolate starting from an NHC complex of copper(I) chloride

The complete nona­nuclear cluster in bis­[1,3-bis­(2,6-di­methyl­phen­yl)imidazolium] di-μ-chlorido-tetra­chlorido-octa­kis­(μ-3,5-di­methyl­pyrazolato)hexa-μ₃-hydroxido-nona­copper(II) chloro­form disolvate, [HIXy]₂[Cu₉(μ-pz*)₈(μ₃-OH)₆(μ₂-Cl)₂Cl₄]·2CHCl₃ or (C₁₉H₂₁N₂)₂[Cu₉(C₅H₇N₂)₈Cl₆(OH)₆]·2CHCl₃, where pz* is the 3,5-di­methyl­pyrazolyl anion, C₅H₇N₂⁻, and HIXy is the 1,3-bis­(2,6-di­methyl­phen­yl)imidazolium cation, C₁₉H₂₁N₂⁺, is generated by a crystallographic centre of symmetry with a square-planar Cu^II ion bound to four μ₃-OH ions lying on the inversion centre.

Synthesis, crystal structure determination of a novel phosphate Ag_1.64Zn_1.64Fe_1.36(PO₄)₃ with an alluaudite-like structure

The orthophosphate, Ag_1.64Zn_1.64Fe_1.36(PO₄)₃ crystallizes in an alluaudite-type structure. The chains characterizing the alluaudite structure are then built up from edge-sharing [Fe/Zn₆] and [ZnO₆] octa­hedra linked together by PO₄ tetra­hedra. The Ag+ are located in channels parallel to the c axis.

Crystal structure and Hirshfeld analysis of 3′-bromo-4-methyl­chalcone and 3′-cyano-4-methyl­chalcone

The 3′-cyano-4-methyl­chalcone crystal structure exhibits close contacts with the cyano nitro­genatom, which do not appear in previously reported disubstituted cyano­chalcones. This structure is the first reported for a meta-cyano chalcone, while noting that the structure for 3′-bromo-4-methyl­chalcone is also a first.

Crystal structure of di­chlorido-1κCl,2κCl-(μ₂-3,5-di­methyl-1H-pyrazolato-1κN²:2κN¹)(3,5-di­methyl-1H-pyrazole-2κN²){μ-2-[(2-hy­droxy­eth­yl)amino-1κ²N,O]ethano­lato-1:2κ²O:O}dicopper(II)

The title pyrazolate amino­alcohol complex comprises two di­methyl­pyrazole mol­ecules in monodentate and bidentate-bridged coordination modes and a monodeprotonated di­ethano­lamine mol­ecule.

Layered alkali propano­ates M⁺(C₂H₅COO)⁻; M⁺ = Na⁺, K⁺, Rb⁺, Cs⁺

The structures of four alkali propionates, M⁺(C₂H₅COO)⁻; M⁺ = Na⁺, K⁺, Rb⁺, Cs⁺, have been determined. All of them show close structural similarity, which is manifested by the coordination of the cation by six oxygen atoms in a chessboard motif, forming a bilayer. This bilayer is situated between hydro­phobic layers composed of dangling ethyl chains. The structures are built up by stacking of these sandwiches.

Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris­(4,5-di­hydro­furan-2-yl)methyl­silane and tris­(4,5-di­hydro­furan-2-yl)phenyl­silane

The crystal structures of tris­(4,5-di­hydro­furan-2-yl)methyl­silane (1) and -phenyl­silane (2) display weak inter­molecular C—H⋯O hydrogen-bonding inter­actions, which were analysed using Hirshfeld surface analysis. Futhermore, the crystal structures of (1) and (2) were refined using independent atom model (IAM) and Hirshfeld atom refinement (HAR) approaches

Structure of a diorganotelluroxonium(IV) cation, {[2,6-(CH₂NMe₂)₂C₆H₃Te(μ-O)]₂}²⁺, with the tri­chlorido­(di­methyl sulfoxide)­platinum(II) anion

In the structure of the salt [C₂₄H₃₈N₄O₂Te₂]²⁺ [PdCl₃(DMSO)]⁻₂, the phenyl rings in the [C₂₄H₃₈N₄O₂Te₂]²⁺ cation are in a cis arrangement to enable this species to participate in Te⋯Cl cation–anion inter­actions.

Crystal structure of bis­[(R,R)-1,2-(bi­naph­thyl­phospho­nito)ethane]­dichlorido­iron(II) di­chloro­methane disolvate

In the title compound, the Fe^II ion lies on a crystallographic twofold rotation axis and is coordinated by four P atoms from two (R,R)-1,2-bis­(bi­naphthyl­phospho­nito)ethane (BPE) ligands and two Cl ligands in a distorted cis-FeCl₂P₄ octa­hedral coordination geometry. Weak C—H⋯O and C—H⋯π inter­actions occur in the crystal.

Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline

The hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and proline, which were prepared by crystallizations at different temperatures, show similar packing motifs.

Crystal structure and Hirshfeld surface analysis of 4-amino­pyridinium thio­cyanate–4-amino­pyridine (1/1)

In the crystal of the title compound, the 4-amino­pyridine mol­ecules, 4-amino­pyridinium and thio­cyanate ions are held together by N—H⋯S and N—H⋯N hydrogen bonds.

Crystal structure and Hirshfeld surface analysis of (aqua-κO)(methanol-κO)[N-(2-oxido­benzyl­idene)threoninato-κ³O,N,O′]copper(II)

The crystal structure of the amino acid Schiff base copper(II) complex with a tridentate ligand synthesized from salicyl­aldehyde, L-threonine and copper(II) acetate is reported.