Crystal structures of five new substituted tetra­hydro-1-benzazepines with potential anti­parasitic activity

The tetra­hydro-1-benzazepine nucleus is considered to be a good scaffold for the development of novel mol­ecules which can exhibit bioactivity. In this work, we report the crystallographic study of five new compounds with potential anti­parasitic properties against Trypanosoma cruzi and Leishmania chagasi.

A hydro­stable and twofold inter­penetrating three-dimensional zinc–organic framework with rob topology based on 4,4′-oxydibenzoate and 3,3′-di­methyl-4,4′-bi­pyridine ligands

The solvothermal synthesis of a hydro­stable and twofold three-dimensional zinc-based metal–organic framework (MOF) involving 4,4′-oxydibenzoate and 3,3′-dimethyl-4,4′-bi­pyridine ligands, leads to a material that displays an intense blue luminescence.

Eight new crystal structures of 5-(hy­droxy­meth­yl)uracil, 5-carb­oxy­uracil and 5-carb­oxy-2-thio­uracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues

Eight crystal structures of 5-(hy­droxy­meth­yl)uracil, 5-carb­oxy­uracil and 5-carb­oxy-2-thio­uracil are presented as the results of a study of their preferred hydrogen-bonding patterns and a conformational study. In six of the structures, intra­molecular S(6) inter­actions are formed by the carb­oxy group, while in one structure, inter­molecular (8) motifs are observed instead. A coplanar conformation of all non-H atoms is preferred in all structures.

A new one-dimensional cadmium(II) coordination polymer incorporating 4-[4-(1H-imidazol-1-yl)phen­yl]pyridine and 5-hy­droxy­benzene-1,3-di­carboxyl­ate ligands

A one-dimensional cadmium(II) coordination polymer has been synthesized based on the new asymmetric ditopic ligand 4-[4-(1H-imidazol-1-yl)phen­yl]pyridine (IPP). The chains are extended into a two-dimensional layer structure via O—H⋯O and O—H⋯N hydrogen bonds and π–π inter­actions.

A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis­(di-tert-butyl­phosphino­yl)-4-(3,5-di­nitro­benzo­yloxy)phenyl-κ³P,C¹,P′]chlorido­nickel(II)

In two polymorphs of the Ni^II POCOP pincer complex, the Ni^II atom is found in a distorted square-planar coordination geometry. In the first polymorph, the arene rings are nearly coplanar, while in the second polymorph, the arene rings are almost perpendicular to one another. The supra­molecular structure is directed by the presence of weak C—H⋯O=X (X = C or N) inter­actions, forming two- and three-dimensional chain arrangements.

Transferred multipolar atom model for 10β,17β-di­hydroxy-17α-methyl­estr-4-en-3-one dihydrate obtained from the biotransformation of methyl­oestrenolone

10β,17β-Di­hydroxy-17α-methylestr-4-en-3-one was obtained as a result of microbial transformation of methyl­oestrenolone. Its three-dimensional structure was determined by single-crystal X-ray diffraction and was refined using transferred multipolar parameters from an electron-density database.

Two N-(2-phenyl­eth­yl)nitro­aniline derivatives as precursors for slow and sustained nitric oxide release agents

Two new precursors to sustained NO-releasing materials have been characterized. The structures are compared with reported analogues, revealing significant differences in mol­ecular conformation, inter­molecular inter­actions, and packing that result from modest changes in functional groups. The structures are also discussed in terms of potential NO-release capability.

Two pseudo-enanti­omeric forms of N-benzyl-4-hy­droxy-1-methyl-2,2-dioxo-1H-2λ⁶,1-benzo­thia­zine-3-carboxamide and their analgesic properties

Two pseudo-enanti­omeric forms of N-benzyl-4-hy­droxy-1-methyl-2,2-dioxo-1H-2λ⁶,1-benzo­thia­zine-3-carboxamide have been crystallized from different solvents. A pharmacological study has shown that the analgesic effect of form A (from methyl­ene chloride) is almost four times as high as that of form B (from N,N-dimethyl­formamide, ethanol, ethyl acetate or xylene).

A non-oxo methano­late-bridged divanadium(IV) complex with tris­(2-sulfanidylphenyl)phosphane ligands: synthesis, structural characterization and magnetic investigation

A non-oxo divanadium(IV) complex with bridging methano­late ligands and tris(2-sulfanidylphenyl)phosphane ligands was synthesized and structurally characterized. The magnetic data indicate a paramagnetic nature with an S = 1 spin state.

Conformation and tautomerism of meth­oxy-substituted 4-phenyl-4-thia­zoline-2-thio­nes: a combined crystallographic and ab initio investigation

The crystal structures of the regioisomeric 4-(2/4-meth­oxy­phen­yl)-4-thia­zoline-2-thio­nes reveal the thione tautomeric form for both, in agreement with the results of ab initio calculations [PBE/6-311G(d,p)]. The conformations found in the crystals are also compared to data from an ab initio energy-relaxed scan.

Crystal structure and photoluminescence properties of a new Cd^II coordination polymer catena-poly[bis­[4-bromo-2-({[2-(pyrrolidin-1-yl)eth­yl]imino}­meth­yl)phenolato-κ³N,N′,O]di-μ₃-chlorido-di-μ₂-chlorido-bis­(methanol-κO)tri­cadmium(II)]

A new dichloride-bridged one-dimensional polymeric Cd^II–Schiff base complex has been synthesized and characterized by elemental analyses, UV and IR spectroscopies, and single-crystal X-ray diffraction. The photoluminescence properties of the complex show it to have a strong red emission in the solid state at room temperature.

Synthesis, structure and characterization of five new organically templated metal sulfates with 2-amino­pyridinium

The role of the 2-amino­pyridinium cation in five organically templated hexaaquametal(II,III) materials is governed by the formation of characteristic charge-assisted hydrogen-bonded pairs with sulfate anions and the presence of π–π inter­actions between the cations.

Supra­molecular architectures in Co^II and Cu^II complexes with thio­phene-2-carboxyl­ate and 2-amino-4,6-di­meth­oxy­pyrimidine ligands

The supra­molecular architectures in Co^II and Cu^II complexes of thio­phene-2-carboxyl­ate and 2-amino-4,6-di­meth­oxy­pyrimidine have been investigated. The Co^II complex is mononuclear and the Cu^II complex is a one-dimensional coordination polymer. In the Co^II complex, the coordinated chloride and coordinated/uncoordinated water molecules play a major role in building the supra­molecular architecture.

Enhanced third-order nonlinear optical properties determined in thin films using the Z-scan technique: bis­(μ-4,4′-oxy­diben­zoato)bis­[(4′-phenyl-2,2′:6′,2′′-ter­pyri­dine)­cobalt(II)]

A binuclear terpyridine cobalt(II) complex exhibits a very strong third-order nonlinear optical saturable absorption (SA) in a thin film with an absorptive coefficient β of −37.3 × 10⁻⁷ m W⁻¹.