RbFe(HAsO₄)₂ and TlFe(HAsO₄)₂, two new hydrogenarsenates adopting two closely related structure types

Rubidium iron bis­[hydrogen arsenate(V)] and thallium iron bis­[hydrogen arsenate(V)] were grown under mild hydro­thermal conditions (T = 493 K, 7 d). RbFe(HAsO₄)₂ adopts the RbFe(HPO₄)₂ structure type (space group Rc), while TlFe(HAsO₄)₂ crystallizes in the (NH₄)Fe(HPO₄)₂ structure type (space group P).

Crystal structure of bis­(1-ethyl-1H-imidazole-κN³)(5,10,15,20-tetra­phenyl­porphyrinato-κ⁴N)iron(II) tetra­hydro­furan monosolvate

The title iron(II)–porphyrin complex possesses inversion symmetry with the metal atom located on a center of symmetry. The iron(II) atom is coordinated in a symmetric octa­hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethyl­imidazole ligands in the axial sites. The dihedral angle between the 1-ethyl­imidazole plane and the plane of the closest Fe—N_p vector is 24.5(?)°.

Crystal structure of a new polymorph of (2S,3S)-2-amino-3-methyl­penta­noic acid

A new polymorph of (2S,3S)-2-amino-3-methyl­penta­noic acid, L-isoleucine C₆H₁₃NO₂, crystallizes in the monoclinic space group P2₁ with four independent mol­ecules in the asymmetric unit. In the crystal, N–H⋯O hydrogen bonds link two pairs of independent mol­ecules and their symmetry-related counterparts to form two types of layers stacked in an anti-parallel manner parallel to (001). The hydro­phobic aliphatic isopropyl groups protrude from these layers.

Mol­ecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives

The structures of two new chalcone derivatives have been determined and are investigated using Hirshfeld surface analysis and mol­ecular electrostatic potential techniques.

Synthesis and structure of an aryl­selenenium(II) cation, [C₃₄H₄₁N₄Se⁺]₂[Hg(SeCN)₄]²⁻, based on a 5-tert-butyl-1,3-bis­(1-pentyl-1H-benzimidazol-2-yl)benzene scaffold

In [C₃₄H₄₁N₄Se⁺]₂[Hg(SeCN)₄]²⁻, the aryl­selenenium cations, [C₃₄H₄₁N₄Se]⁺, and [Hg(SeCN)₄]²⁻ anions are linked by C—H⋯N hydrogen bonds. In the cation, the geometry around the Se atom is T-shaped, resulting from the coordination of Se by the C atom of the central aromatic ring and the N atoms of the benzimidazolyl moieties.

Undeca­carbon­yl[(4-methyl­sulfanylphen­yl)di­phenyl­phosphane]triruthenium(0): crystal structure and Hirshfeld surface analysis

In Ru₃(CO)₁₁PPh₂(C₆H₄SMe-4), the phosphane ligand occupies an equatorial position. In the crystal, phenyl-C—H⋯O(carbon­yl) and carbonyl-O⋯O(carbon­yl) inter­actions general a [111] supra­molecular chain.

Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone

In the title dimedone derivative, the 4-hy­droxy-3-meth­oxy­benzyl substituent adopts a sofa conformation. In the crystal, mol­ecules are assembled into a sheet structure parallel to the ab plane via O—H⋯O hydrogen bonds.

Crystal structure of (μ-trans-1,2-bis­{2-[(2-oxido­phen­yl)methyl­idene]hydrazin-1-yl­idene}ethane-1,2-diolato-κ³O,O′,N)bis­[di-tert-butyl­tin(IV)]

In a binuclear complex containing two Sn⁴⁺ ions, connected by the doubly N-deprotonated oxalylbis[(2-oxido­benzyl­idene)hydrazide] ligands, and with each Sn⁴⁺ is linked to two tert-butyl groups, the coordination sphere of each Sn atom is best described as a trigonal bipyramid.

Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis­(di­phenyl­phosphane) ligands

Two new structures from a very small group to date of six-coordinate monocationic iron(III) complexes containing two bidentate phosphane and two halido ligands are presented as di­chloro­methane solvates. The Fe—P and Fe—Cl bond lengths are longer and shorter, respectively, than those previously reported for cations in this group.

Crystal structure of a heterometallic coordination polymer: catena-poly[[[tetra­aqua­cobalt(II)]-μ-pyridine-2,6-di­carboxyl­ato-calcium(II)-μ-pyridine-2,6-di­carboxyl­ato] dihydrate]

The pyridine-2,6-di­carboxyl­ate anions bridge the Ca^II and Co^II cations to form a polymeric complex chain propagating along the b-axis direction.

Crystal structure and Hirshfield surface analysis of 4-phenyl-3-(thio­phen-3-ylmeth­yl)-1H-1,2,4-triazole-5(4H)-thione

The synthesis and crystal structure of a new thio­phene monomer containing a 1,2,4-triazole-5-thione ring are reported. The thio­phene and 1,2,4-triazole rings are inclined to each other by 79.70 (9)°.

Synthesis and crystal structure of methyl 3-(3-hy­droxy-3-phenyl­prop-2-eno­yl)benzoate

A non-symmetric aromatic β-diketone enol bearing a carb­oxy­methyl group has been synthesized and characterized by X-ray crystallography, ¹H and ¹³C NMR spectroscopy, elemental analysis, UV–Vis spectroscopy and cyclic voltammetry.

A rare positively charged nicotinic acid di­sulfide: 2,2′-di­thio­dinicotinic acid hydro­chloride monohydrate

An unexpected product was obtained from slow evaporation in acidic media, as a protonated nitro­gen is combined with a di­sulfide bond between a pair of 2-mercaptonicotinic acid moieties.

Crystal structure of (–)-(R,E)-3-(1,3-benzodioxol-5-yl)-5-[(4S,5R)-5-hy­droxy­methyl-2,2-di­methyl-1,3-dioxolan-4-yl]-N,N-di­methyl­pent-4-enamide

In the title compound, 1,3-dioxolane and 1,3-dioxole rings adopt envelope forms, while amide moiety and benzene ring are essentially planar. An intra­molecular O—H⋯O hydrogen bond supports the mol­ecular conformation, and inter­molecular weak C—H⋯O and C—H⋯π inter­actions connect the mol­ecules into sheet structure.

Crystal structures of binary compounds of meldonium 3-(1,1,1-tri­methyl­hydrazin-1-ium-2-yl)prop­ano­ate with sodium bromide and sodium iodide

3-(1,1,1-Tri­methyl­hydrazin-1-ium-2-yl)propano­ate (M, more commonly known under its commercial names Meldonium or Mildronate) co-crystalizes with sodium bromide and sodium iodide forming polymeric hydrates. Metal ions and M zwitterions are assembled into infinite layers via electrostatic inter­actions and hydrogen-bonded networks. These layers are connected via electrostatic attraction between halogenide ions and positive tri­methyl­hydrazinium groups into a three-dimensional structure.

Synthesis, spectroscopic and Hirshfeld surface analysis and fluorescence studies of (2E,2′E)-3,3′-(1,4-phenyl­ene)bis­[1-(4-hy­droxy­phen­yl)prop-2-en-1-one] N,N-di­methyl­formamide disolvate

In the bis­chalcone mol­ecule, the central benzene and terminal hy­droxy­phenyl rings form a dihedral angle of 14.28 (11)° and the central C=C double bond adopts a trans conformation. In the crystal, the title mol­ecule and solvate are linked by O—H⋯O hydrogen bonds.

Crystal structures of 4,4′-(disulfane-1,2-diyl)bis­(5-methyl-2H-1,3-di­thiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis­(5-methyl-2H-1,3-di­thiol-2-one)

By in situ oxidation (S—S)²⁻ and (Se—Se)²⁻ moieties are formed, replacing ⁿBu₃Sn substituents on alkene carbon atoms of two distinct and subsequently linked 1,3-ene-di­thiol-2-one units. The resulting compounds, bis­[4-methyl-1,3-di­thiol-2-one] di­sulfide, C₈H₆O₂S₄S₂, and bis­[4-methyl-1,3-di­thiol-2-one] diselenide, C₈H₆O₂Se₆, are isotypic.

Crystal structures of four new iridium complexes, each containing a highly flexible carbodi­phos­phorane PCP pincer ligand

The synthesis and crystal structures of four iridium–PCP pincer complexes, each containing a highly flexible carbodi­phospho­rane PCP pincer ligand, are discussed.

Crystal structure of racemic 2-[(β-arabino­pyran­osyl)­sulfanyl]-4,6-di­phenylpyridine-3-carbo­nitrile

In the racemic title compound, the sulfur atom is attached equatorially to the sugar ring with unequal S—C bonds. The dihedral angles between the pyridine ring and its attached phenyl groups are 42.24 (8) and 6.37 (14)°. In the crystal, a system of classical O—H⋯O and O—H⋯(O,O) hydrogen bonds links the mol­ecules to form tube-like assemblies propagating parallel to the c-axis direction.

The crystal structures of iron and cobalt pyridine (py)–sulfates, [Fe(SO₄)(py)₄]_n and [Co₃(SO₄)₃(py)₁₁]_n

The crystal structures of two first-row transition metal (Fe and Co) pyridine–sulfate complexes are presented. The compounds demonstrate infinite chains of metal pyridine units connected by bridging sulfate anions.

The crystal structures of 3-O-benzyl-1,2-O-iso­propyl­idene-5-O-methane­sulfonyl-6-O-tri­phenyl­methyl-α-D-gluco­furan­ose and its azide displacement product

The effect of different leaving groups on the substitution versus elimination outcomes with C-5 D-glucose derivatives was investigated.

Crystal structure of 1-[3,5-bis­(tri­fluoro­meth­yl)phen­yl]-2-bromo­ethan-1-one

The title compound crystallizes with four mol­ecules in the unit cell (Z = 4) and one formula unit in the asymmetric unit. In the crystal, mol­ecules are linked in a head-to-tail fashion into dimers along the b-axis direction through weak C—H⋯Br and C—O⋯Csp² inter­actions. C—H⋯O, C—F⋯π and F⋯F inter­actions are also observed

Crystal structure of 2-{5-[2-(2-hy­droxy­phen­yl)diazen-1-yl]-1-methyl­pyrrol-2-yl}phenol methanol monosolvate

The azo N=N bond adopts a trans conformation and the pyrrole N and azo group are in an anti orientation. The dihedral angles between the pyrrole ring and the two phenyl rings are 6.7 (3) and 54.7 (3)°. In the crystal, a supra­molecular ring structure is formed between two azo­pyrrole and two methanol solvent mol­ecules through four O—H⋯O hydrogen bonds.